6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one

C20H15FN4O2 — CID 162498372

IUPAC6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
SMILESCOc1cnccc1Nc1nc2ccc(F)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H15FN4O2/c1-27-18-12-22-10-9-17(18)24-20-23-16-8-7-13(21)11-15(16)19(26)25(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyJBTMCUFUISHJCT-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.67
Rot. Bonds4

About 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one

6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one (PubChem CID 162498372) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
PubChem CID162498372
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
SMILESCOc1cnccc1Nc1nc2ccc(F)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C20H15FN4O2/c1-27-18-12-22-10-9-17(18)24-20-23-16-8-7-13(21)11-15(16)19(26)25(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyJBTMCUFUISHJCT-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
CID 162498369
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
CID 162498529
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one?
The IUPAC name of 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one (CID 162498372) is 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one is COc1cnccc1Nc1nc2ccc(F)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one?
The InChIKey is JBTMCUFUISHJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-27-18-12-22-10-9-17(18)24-20-23-16-8-7-13(21)11-15(16)19(26)25(20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one?
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one has a molecular weight of 362.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one is sourced from PubChem (CID 162498372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).