2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one

C14H17N3O3 — CID 137271007

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC2(O)CCOCC2)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c18-12-10-3-1-2-4-11(10)16-13(17-12)15-9-14(19)5-7-20-8-6-14/h1-4,19H,5-9H2,(H2,15,16,17,18)
InChIKeyFKXHEPWFUWNEGH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds3

About 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one

2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one (PubChem CID 137271007) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one
PubChem CID137271007
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC2(O)CCOCC2)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c18-12-10-3-1-2-4-11(10)16-13(17-12)15-9-14(19)5-7-20-8-6-14/h1-4,19H,5-9H2,(H2,15,16,17,18)
InChIKeyFKXHEPWFUWNEGH-UHFFFAOYSA-N
XLogP0.88
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
CID 137271068
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
2-[3-[[(3S)-oxolan-3-yl]methoxy]propylamino]-3H-quinazolin-4-one
CID 136764296
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 136666096
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one (CID 137271007) is 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one is O=c1[nH]c(NCC2(O)CCOCC2)nc2ccccc12.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one?
The InChIKey is FKXHEPWFUWNEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12-10-3-1-2-4-11(10)16-13(17-12)15-9-14(19)5-7-20-8-6-14/h1-4,19H,5-9H2,(H2,15,16,17,18).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one?
2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137271007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).