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

C36H36F3N5O2 — CID 123186664

IUPACN-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOC(CC(C)(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C36H36F3N5O2/c1-21-34(28-8-6-7-11-40-28)43-30-16-23(37)15-27(39)33(30)35(21)42-29-17-32(44-12-13-46-24(20-44)18-36(2,3)4)41-19-25(29)22-9-10-31(45-5)26(38)14-22/h6-11,14-17,19,24H,12-13,18,20H2,1-5H3,(H,41,42,43)
InChIKeyRPCLNAUZIWFCKO-UHFFFAOYSA-N
MW627.71 g/mol
LogP8.48
Rot. Bonds7

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

N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 123186664) has the molecular formula C36H36F3N5O2 and a molecular weight of 627.71 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID123186664
Molecular FormulaC36H36F3N5O2
Molecular Weight627.71 g/mol
Exact Mass627.28
IUPAC NameN-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOC(CC(C)(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C36H36F3N5O2/c1-21-34(28-8-6-7-11-40-28)43-30-16-23(37)15-27(39)33(30)35(21)42-29-17-32(44-12-13-46-24(20-44)18-36(2,3)4)41-19-25(29)22-9-10-31(45-5)26(38)14-22/h6-11,14-17,19,24H,12-13,18,20H2,1-5H3,(H,41,42,43)
InChIKeyRPCLNAUZIWFCKO-UHFFFAOYSA-N
XLogP8.48
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.71
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Inixaciclib
CID 139390026
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179
4-Aminoquinazoline derivative, 6a
CID 50898518
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 11365185
5-[[5-(4-methoxyphenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610921
(S)-5-(5-(4-Methoxyphenyl)-4-(morpholin-2-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
CID 59613380

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 123186664) is N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccc(-c2cnc(N3CCOC(CC(C)(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F.
What is the InChIKey of N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is RPCLNAUZIWFCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F3N5O2/c1-21-34(28-8-6-7-11-40-28)43-30-16-23(37)15-27(39)33(30)35(21)42-29-17-32(44-12-13-46-24(20-44)18-36(2,3)4)41-19-25(29)22-9-10-31(45-5)26(38)14-22/h6-11,14-17,19,24H,12-13,18,20H2,1-5H3,(H,41,42,43).
What are the key properties of N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 627.71 g/mol, XLogP of 8.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethylpropyl)morpholin-4-yl]-5-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 123186664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).