5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C35H35F2N5O2 — CID 91323097

IUPAC5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1ncc(N2CCOC(CC(C)C)C2)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C35H35F2N5O2/c1-21(2)15-25-20-42(13-14-44-25)24-18-30(35(39-19-24)26-9-5-6-11-31(26)43-4)41-34-22(3)33(28-10-7-8-12-38-28)40-29-17-23(36)16-27(37)32(29)34/h5-12,16-19,21,25H,13-15,20H2,1-4H3,(H,40,41)
InChIKeyYNWPQRNLCBCZBB-UHFFFAOYSA-N
MW595.69 g/mol
LogP7.95
Rot. Bonds8

About 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 91323097) has the molecular formula C35H35F2N5O2 and a molecular weight of 595.69 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID91323097
Molecular FormulaC35H35F2N5O2
Molecular Weight595.69 g/mol
Exact Mass595.28
IUPAC Name5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1ncc(N2CCOC(CC(C)C)C2)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C35H35F2N5O2/c1-21(2)15-25-20-42(13-14-44-25)24-18-30(35(39-19-24)26-9-5-6-11-31(26)43-4)41-34-22(3)33(28-10-7-8-12-38-28)40-29-17-23(36)16-27(37)32(29)34/h5-12,16-19,21,25H,13-15,20H2,1-4H3,(H,40,41)
InChIKeyYNWPQRNLCBCZBB-UHFFFAOYSA-N
XLogP7.95
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.69
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

SB 714786
CID 10287730
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
N'-[7-(cyclohexylmethyl)-4-quinolyl]-N-[(5-fluoro-2-methoxy-phenyl)methyl]propane-1,3-diamine
CID 56594063
4-(3-(5,7-Difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-ylamino)-5-morpholinopyridin-2-yl)phenol
CID 136027097
US20230399327, Example 21
CID 163272372
US20240018122, Example 37
CID 168072406
38-Methoxy-17,24-diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaene
CID 10508774
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
CID 44529751
N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 44531812
7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532547
4-[3-[(3R,4R)-3-ethyl-1-heptylpiperidin-4-yl]propyl]-6-(2-piperazin-1-ylethoxy)quinoline;hydrochloride
CID 44533998
4-[4-(4-Prop-2-enoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73345798

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 91323097) is 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccccc1-c1ncc(N2CCOC(CC(C)C)C2)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.
What is the InChIKey of 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is YNWPQRNLCBCZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N5O2/c1-21(2)15-25-20-42(13-14-44-25)24-18-30(35(39-19-24)26-9-5-6-11-31(26)43-4)41-34-22(3)33(28-10-7-8-12-38-28)40-29-17-23(36)16-27(37)32(29)34/h5-12,16-19,21,25H,13-15,20H2,1-4H3,(H,40,41).
What are the key properties of 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 595.69 g/mol, XLogP of 7.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 91323097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).