3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one

C14H12N4O — CID 79231283

IUPAC3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
SMILESNc1cccc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C14H12N4O/c15-13-7-3-4-10(17-13)8-18-9-16-12-6-2-1-5-11(12)14(18)19/h1-7,9H,8H2,(H2,15,17)
InChIKeyKIXNBRRCJPLZMS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.42
Rot. Bonds2

About 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one

3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one (PubChem CID 79231283) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
PubChem CID79231283
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
SMILESNc1cccc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C14H12N4O/c15-13-7-3-4-10(17-13)8-18-9-16-12-6-2-1-5-11(12)14(18)19/h1-7,9H,8H2,(H2,15,17)
InChIKeyKIXNBRRCJPLZMS-UHFFFAOYSA-N
XLogP1.42
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
6-[(4-oxoquinazolin-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 68939231
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
7-[(4-oxoquinazolin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7628275
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one (CID 79231283) is 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one is Nc1cccc(Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one?
The InChIKey is KIXNBRRCJPLZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13-7-3-4-10(17-13)8-18-9-16-12-6-2-1-5-11(12)14(18)19/h1-7,9H,8H2,(H2,15,17).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one?
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one is sourced from PubChem (CID 79231283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).