2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline

C107H103ClF3N19O7 — CID 158009538

IUPAC2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
SMILESCOc1cccc(-c2cc3ncccc3c(N3CCOCC3)n2)c1OC.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1Cl.c1ccc(CN(Cc2ccccc2)c2ccc(-c3cc4ncccc4c(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C32H30N4O.C20H21N3O3.C19H17F3N4O.C18H17ClN4O.C18H18N4O/c1-3-8-25(9-4-1)23-36(24-26-10-5-2-6-11-26)28-15-13-27(14-16-28)30-22-31-29(12-7-17-33-31)32(34-30)35-18-20-37-21-19-35;1-24-18-7-3-5-14(19(18)25-2)17-13-16-15(6-4-8-21-16)20(22-17)23-9-11-26-12-10-23;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;19-14-10-12(3-4-15(14)20)16-11-17-13(2-1-5-21-17)18(22-16)23-6-8-24-9-7-23;19-14-5-3-13(4-6-14)16-12-17-15(2-1-7-20-17)18(21-16)22-8-10-23-11-9-22/h1-17,22H,18-21,23-24H2;3-8,13H,9-12H2,1-2H3;1-5,10-11H,6-9,23H2;1-5,10-11H,6-9,20H2;1-7,12H,8-11,19H2
InChIKeyFESDASQSWBWVCZ-UHFFFAOYSA-N
MW1859.57 g/mol
LogP19.31
Rot. Bonds17

About 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline

2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline (PubChem CID 158009538) has the molecular formula C107H103ClF3N19O7 and a molecular weight of 1859.57 g/mol. Its IUPAC name is 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
PubChem CID158009538
Molecular FormulaC107H103ClF3N19O7
Molecular Weight1859.57 g/mol
Exact Mass1857.79
IUPAC Name2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
SMILESCOc1cccc(-c2cc3ncccc3c(N3CCOCC3)n2)c1OC.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1Cl.c1ccc(CN(Cc2ccccc2)c2ccc(-c3cc4ncccc4c(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C32H30N4O.C20H21N3O3.C19H17F3N4O.C18H17ClN4O.C18H18N4O/c1-3-8-25(9-4-1)23-36(24-26-10-5-2-6-11-26)28-15-13-27(14-16-28)30-22-31-29(12-7-17-33-31)32(34-30)35-18-20-37-21-19-35;1-24-18-7-3-5-14(19(18)25-2)17-13-16-15(6-4-8-21-16)20(22-17)23-9-11-26-12-10-23;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;19-14-10-12(3-4-15(14)20)16-11-17-13(2-1-5-21-17)18(22-16)23-6-8-24-9-7-23;19-14-5-3-13(4-6-14)16-12-17-15(2-1-7-20-17)18(21-16)22-8-10-23-11-9-22/h1-17,22H,18-21,23-24H2;3-8,13H,9-12H2,1-2H3;1-5,10-11H,6-9,23H2;1-5,10-11H,6-9,20H2;1-7,12H,8-11,19H2
InChIKeyFESDASQSWBWVCZ-UHFFFAOYSA-N
XLogP19.31
TPSA291.01 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.57
LogP ≤ 519.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline with MolForge

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Related Compounds

8-chloro-7-fluoro-N-(5'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 66631686
8-chloro-5-fluoro-N-(5'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 66632432
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 158360308
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159035946
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159394529
carbonyl difluoride;2-chloro-6-(trifluoromethoxy)quinoline;4-fluoroaniline;(2S)-8-methyl-2-[[4-[6-(trifluoromethoxy)quinolin-2-yl]piperazin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;1-oxido-6-(trifluoromethoxy)quinolin-1-ium;2-piperazin-1-yl-6-(trifluoromethoxy)quinoline;6-(trifluoromethoxy)quinoline;6-(trifluoromethoxy)-1H-quinolin-2-one
CID 159583956
(2R)-2-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxymethyl]morpholine;4-[4-[5-[(3,5-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline
CID 159690858
2-chloro-7-[4-chloro-2-(trifluoromethyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;3-methoxy-4-(2-methyl-4-pyridinyl)aniline
CID 159932530
2-chloro-6-(trifluoromethoxy)quinoline;2-(1,4-diazepan-1-yl)-6-(trifluoromethoxy)quinoline;(2S)-8-methyl-2-[[4-[6-(trifluoromethoxy)quinolin-2-yl]-1,4-diazepan-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
CID 160397112
2-chloro-6-(trifluoromethoxy)quinoline;(2S)-8-methyl-2-[[4-[6-(trifluoromethoxy)quinolin-2-yl]piperazin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;1-oxido-6-(trifluoromethoxy)quinolin-1-ium;2-piperazin-1-yl-6-(trifluoromethoxy)quinoline;4-(trifluoromethoxy)aniline;6-(trifluoromethoxy)quinoline;6-(trifluoromethoxy)-1H-quinolin-2-one
CID 161272797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline (CID 158009538) is 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline is COc1cccc(-c2cc3ncccc3c(N3CCOCC3)n2)c1OC.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1C(F)(F)F.Nc1ccc(-c2cc3ncccc3c(N3CCOCC3)n2)cc1Cl.c1ccc(CN(Cc2ccccc2)c2ccc(-c3cc4ncccc4c(N4CCOCC4)n3)cc2)cc1.
What is the InChIKey of 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
The InChIKey is FESDASQSWBWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O.C20H21N3O3.C19H17F3N4O.C18H17ClN4O.C18H18N4O/c1-3-8-25(9-4-1)23-36(24-26-10-5-2-6-11-26)28-15-13-27(14-16-28)30-22-31-29(12-7-17-33-31)32(34-30)35-18-20-37-21-19-35;1-24-18-7-3-5-14(19(18)25-2)17-13-16-15(6-4-8-21-16)20(22-17)23-9-11-26-12-10-23;20-19(21,22)14-10-12(3-4-15(14)23)16-11-17-13(2-1-5-24-17)18(25-16)26-6-8-27-9-7-26;19-14-10-12(3-4-15(14)20)16-11-17-13(2-1-5-21-17)18(22-16)23-6-8-24-9-7-23;19-14-5-3-13(4-6-14)16-12-17-15(2-1-7-20-17)18(21-16)22-8-10-23-11-9-22/h1-17,22H,18-21,23-24H2;3-8,13H,9-12H2,1-2H3;1-5,10-11H,6-9,23H2;1-5,10-11H,6-9,20H2;1-7,12H,8-11,19H2.
What are the key properties of 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline?
2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline has a molecular weight of 1859.57 g/mol, XLogP of 19.31, 17 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 158009538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).