1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one

C28H32F2N6O3 — CID 50906573

IUPAC1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H32F2N6O3/c1-18-26(25-21(30)14-19(29)15-22(25)33-27(18)36-5-3-2-4-24(36)37)32-23-16-20(34-6-10-38-11-7-34)17-31-28(23)35-8-12-39-13-9-35/h14-17H,2-13H2,1H3,(H,32,33)
InChIKeyLMARPNNSSGOHRT-UHFFFAOYSA-N
MW538.60 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one

1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one (PubChem CID 50906573) has the molecular formula C28H32F2N6O3 and a molecular weight of 538.60 g/mol. Its IUPAC name is 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one
PubChem CID50906573
Molecular FormulaC28H32F2N6O3
Molecular Weight538.60 g/mol
Exact Mass538.25
IUPAC Name1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H32F2N6O3/c1-18-26(25-21(30)14-19(29)15-22(25)33-27(18)36-5-3-2-4-24(36)37)32-23-16-20(34-6-10-38-11-7-34)17-31-28(23)35-8-12-39-13-9-35/h14-17H,2-13H2,1H3,(H,32,33)
InChIKeyLMARPNNSSGOHRT-UHFFFAOYSA-N
XLogP4.15
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one with MolForge

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Related Compounds

2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 44587934
n-(6-(6-Aminopyridin-3-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321409
5-[2-Morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 59507597
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
CID 59507731
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507919
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494046
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494066

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one?
The IUPAC name of 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one (CID 50906573) is 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one?
The canonical SMILES for 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one is Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one?
The InChIKey is LMARPNNSSGOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N6O3/c1-18-26(25-21(30)14-19(29)15-22(25)33-27(18)36-5-3-2-4-24(36)37)32-23-16-20(34-6-10-38-11-7-34)17-31-28(23)35-8-12-39-13-9-35/h14-17H,2-13H2,1H3,(H,32,33).
What are the key properties of 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one?
1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one has a molecular weight of 538.60 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one is sourced from PubChem (CID 50906573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).