3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one

C19H18F2N4O — CID 162498478

IUPAC3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Nc2cccnc2)n1C1CCC(F)(F)CC1
InChIInChI=1S/C19H18F2N4O/c20-19(21)9-7-14(8-10-19)25-17(26)15-5-1-2-6-16(15)24-18(25)23-13-4-3-11-22-12-13/h1-6,11-12,14H,7-10H2,(H,23,24)
InChIKeyJHWMQPFMSLTXKX-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.29
Rot. Bonds3

About 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one

3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one (PubChem CID 162498478) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
PubChem CID162498478
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(Nc2cccnc2)n1C1CCC(F)(F)CC1
InChIInChI=1S/C19H18F2N4O/c20-19(21)9-7-14(8-10-19)25-17(26)15-5-1-2-6-16(15)24-18(25)23-13-4-3-11-22-12-13/h1-6,11-12,14H,7-10H2,(H,23,24)
InChIKeyJHWMQPFMSLTXKX-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one
CID 51083180
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-3-ylamino)-6,7-dihydroquinazolin-4-one
CID 166892259
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
4-N,4-N-dimethyl-2-N-pyridin-3-ylquinazoline-2,4-diamine
CID 71691122
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
CID 155058890
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
2-anilino-3-propylquinazolin-4-one
CID 10901968
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one (CID 162498478) is 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one is O=c1c2ccccc2nc(Nc2cccnc2)n1C1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The InChIKey is JHWMQPFMSLTXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-19(21)9-7-14(8-10-19)25-17(26)15-5-1-2-6-16(15)24-18(25)23-13-4-3-11-22-12-13/h1-6,11-12,14H,7-10H2,(H,23,24).
What are the key properties of 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one has a molecular weight of 356.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).