1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one

C25H21FN4O2 — CID 158321070

IUPAC1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
SMILESCOc1cc(-c2cccc(F)c2)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H21FN4O2/c1-32-22-13-18(16-5-2-7-19(26)11-16)12-21-23(22)28-24(17-6-3-9-27-14-17)29-25(21)30-10-4-8-20(31)15-30/h2-3,5-7,9,11-14H,4,8,10,15H2,1H3
InChIKeyGOVXVVBNUUEIDT-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.68
Rot. Bonds4

About 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one

1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one (PubChem CID 158321070) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
PubChem CID158321070
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
SMILESCOc1cc(-c2cccc(F)c2)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H21FN4O2/c1-32-22-13-18(16-5-2-7-19(26)11-16)12-21-23(22)28-24(17-6-3-9-27-14-17)29-25(21)30-10-4-8-20(31)15-30/h2-3,5-7,9,11-14H,4,8,10,15H2,1H3
InChIKeyGOVXVVBNUUEIDT-UHFFFAOYSA-N
XLogP4.68
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
CID 161458664
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 171988085
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 144501093
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
6-(3-methoxyphenyl)sulfonyl-4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260855
6-(2,4-difluorophenyl)-8-methoxy-N-[[(Z)-2-(methylideneamino)ethenyl]sulfanylmethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 144500779
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133318469
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The IUPAC name of 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one (CID 158321070) is 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one.
What is the SMILES notation for 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The canonical SMILES for 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one is COc1cc(-c2cccc(F)c2)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12.
What is the InChIKey of 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The InChIKey is GOVXVVBNUUEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-32-22-13-18(16-5-2-7-19(26)11-16)12-21-23(22)28-24(17-6-3-9-27-14-17)29-25(21)30-10-4-8-20(31)15-30/h2-3,5-7,9,11-14H,4,8,10,15H2,1H3.
What are the key properties of 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one has a molecular weight of 428.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one is sourced from PubChem (CID 158321070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).