5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H32F2N6O2 — CID 50906993

IUPAC5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOC1CCN(c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)CC1
InChIInChI=1S/C30H32F2N6O2/c1-19-28(24-5-3-4-8-33-24)35-25-16-20(31)15-23(32)27(25)29(19)36-26-17-21(37-9-6-22(39-2)7-10-37)18-34-30(26)38-11-13-40-14-12-38/h3-5,8,15-18,22H,6-7,9-14H2,1-2H3,(H,35,36)
InChIKeyBEWGMJMCACPUBL-UHFFFAOYSA-N
MW546.62 g/mol
LogP5.47
Rot. Bonds6

About 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906993) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906993
Molecular FormulaC30H32F2N6O2
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC Name5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOC1CCN(c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)CC1
InChIInChI=1S/C30H32F2N6O2/c1-19-28(24-5-3-4-8-33-24)35-25-16-20(31)15-23(32)27(25)29(19)36-26-17-21(37-9-6-22(39-2)7-10-37)18-34-30(26)38-11-13-40-14-12-38/h3-5,8,15-18,22H,6-7,9-14H2,1-2H3,(H,35,36)
InChIKeyBEWGMJMCACPUBL-UHFFFAOYSA-N
XLogP5.47
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-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
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-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50906993) is 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COC1CCN(c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)CC1.
What is the InChIKey of 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is BEWGMJMCACPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2/c1-19-28(24-5-3-4-8-33-24)35-25-16-20(31)15-23(32)27(25)29(19)36-26-17-21(37-9-6-22(39-2)7-10-37)18-34-30(26)38-11-13-40-14-12-38/h3-5,8,15-18,22H,6-7,9-14H2,1-2H3,(H,35,36).
What are the key properties of 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 546.62 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).