N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine

C34H39F2N7O2 — CID 59631082

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine
SMILESCc1c(-c2ccc(N3CCC(C)CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C34H39F2N7O2/c1-22-5-7-42(8-6-22)30-4-3-24(20-37-30)32-23(2)33(31-27(36)17-25(35)18-28(31)39-32)40-29-19-26(41-9-13-44-14-10-41)21-38-34(29)43-11-15-45-16-12-43/h3-4,17-22H,5-16H2,1-2H3,(H,39,40)
InChIKeyGFEHYPWMSCTPOL-UHFFFAOYSA-N
MW615.73 g/mol
LogP5.93
Rot. Bonds6

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine (PubChem CID 59631082) has the molecular formula C34H39F2N7O2 and a molecular weight of 615.73 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine
PubChem CID59631082
Molecular FormulaC34H39F2N7O2
Molecular Weight615.73 g/mol
Exact Mass615.31
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine
SMILESCc1c(-c2ccc(N3CCC(C)CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C34H39F2N7O2/c1-22-5-7-42(8-6-22)30-4-3-24(20-37-30)32-23(2)33(31-27(36)17-25(35)18-28(31)39-32)40-29-19-26(41-9-13-44-14-10-41)21-38-34(29)43-11-15-45-16-12-43/h3-4,17-22H,5-16H2,1-2H3,(H,39,40)
InChIKeyGFEHYPWMSCTPOL-UHFFFAOYSA-N
XLogP5.93
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Sovleplenib
CID 71113742
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine (CID 59631082) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine is Cc1c(-c2ccc(N3CCC(C)CC3)nc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine?
The InChIKey is GFEHYPWMSCTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F2N7O2/c1-22-5-7-42(8-6-22)30-4-3-24(20-37-30)32-23(2)33(31-27(36)17-25(35)18-28(31)39-32)40-29-19-26(41-9-13-44-14-10-41)21-38-34(29)43-11-15-45-16-12-43/h3-4,17-22H,5-16H2,1-2H3,(H,39,40).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine has a molecular weight of 615.73 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 59631082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).