2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one

C14H11N3O2 — CID 136926494

IUPAC2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2cccnc2)nc2ccccc12
InChIInChI=1S/C14H11N3O2/c18-14-11-5-1-2-6-12(11)16-13(17-14)9-19-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17,18)
InChIKeyRMJAUJAENAABJK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.90
Rot. Bonds3

About 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one

2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one (PubChem CID 136926494) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
PubChem CID136926494
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2cccnc2)nc2ccccc12
InChIInChI=1S/C14H11N3O2/c18-14-11-5-1-2-6-12(11)16-13(17-14)9-19-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17,18)
InChIKeyRMJAUJAENAABJK-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 156870459
2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-3H-quinazolin-4-one
CID 135690796
2-[(4-nitrophenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137152440
2-[[4-[(Z)-1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl]phenoxy]methyl]-3H-quinazolin-4-one
CID 167444503
(5S)-5-[[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 136811211
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
CID 136767041
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 135734857
2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole
CID 44600083
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-anilinophenoxy)acetate
CID 135734764
5-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 71185914

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one (CID 136926494) is 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one is O=c1[nH]c(COc2cccnc2)nc2ccccc12.
What is the InChIKey of 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The InChIKey is RMJAUJAENAABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14-11-5-1-2-6-12(11)16-13(17-14)9-19-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,17,18).
What are the key properties of 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136926494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).