2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one

C15H12F2N4O2 — CID 137262894

IUPAC2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(OC(F)F)cn2)nc2ccccc12
InChIInChI=1S/C15H12F2N4O2/c16-14(17)23-10-6-5-9(18-8-10)7-19-15-20-12-4-2-1-3-11(12)13(22)21-15/h1-6,8,14H,7H2,(H2,19,20,21,22)
InChIKeyPSXJDKGYFQTCAW-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.53
Rot. Bonds5

About 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one

2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one (PubChem CID 137262894) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
PubChem CID137262894
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(OC(F)F)cn2)nc2ccccc12
InChIInChI=1S/C15H12F2N4O2/c16-14(17)23-10-6-5-9(18-8-10)7-19-15-20-12-4-2-1-3-11(12)13(22)21-15/h1-6,8,14H,7H2,(H2,19,20,21,22)
InChIKeyPSXJDKGYFQTCAW-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-6-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262893
2-[[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135729616
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
CID 137266124
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729615
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729617
2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3H-quinazolin-4-one
CID 136748011
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
CID 166201526

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one (CID 137262894) is 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one is O=c1[nH]c(NCc2ccc(OC(F)F)cn2)nc2ccccc12.
What is the InChIKey of 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one?
The InChIKey is PSXJDKGYFQTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c16-14(17)23-10-6-5-9(18-8-10)7-19-15-20-12-4-2-1-3-11(12)13(22)21-15/h1-6,8,14H,7H2,(H2,19,20,21,22).
What are the key properties of 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one?
2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one has a molecular weight of 318.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137262894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).