5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one

C18H13N3O — CID 135567453

IUPAC5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one
SMILESCc1c(-c2cccc3ncccc23)ccc2nc[nH]c(=O)c12
InChIInChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)
InChIKeyUUGUFBFLQOTDIV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.45
Rot. Bonds1

About 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one

5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one (PubChem CID 135567453) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one
PubChem CID135567453
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one
SMILESCc1c(-c2cccc3ncccc23)ccc2nc[nH]c(=O)c12
InChIInChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)
InChIKeyUUGUFBFLQOTDIV-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
Aminoquinazoline amide, 35
CID 25138148
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
XR-9577
CID 15950351
2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide
CID 16048415
4-[(2,6-Dimethylbenzyl)amino]-2-Methylquinoline-8-Carboxamide
CID 91827500
3-(4-Morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
CID 133107911
2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
N-(quinolin-6-yl)benzamide
CID 833617

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one (CID 135567453) is 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one is Cc1c(-c2cccc3ncccc23)ccc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one?
The InChIKey is UUGUFBFLQOTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22).
What are the key properties of 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one?
5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one has a molecular weight of 287.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-quinolin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135567453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).