3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one

C15H16N4O — CID 742176

IUPAC3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCn1ccnc1
InChIInChI=1S/C15H16N4O/c1-12-17-14-6-3-2-5-13(14)15(20)19(12)9-4-8-18-10-7-16-11-18/h2-3,5-7,10-11H,4,8-9H2,1H3
InChIKeyHPXWBMAYHXJEHQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.99
Rot. Bonds4

About 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one

3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one (PubChem CID 742176) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one
PubChem CID742176
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1CCCn1ccnc1
InChIInChI=1S/C15H16N4O/c1-12-17-14-6-3-2-5-13(14)15(20)19(12)9-4-8-18-10-7-16-11-18/h2-3,5-7,10-11H,4,8-9H2,1H3
InChIKeyHPXWBMAYHXJEHQ-UHFFFAOYSA-N
XLogP1.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazol-1-ylphenylmethanone
CID 66319
3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 866363
N11-Ethyl-N5-methyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453351
N5,N11-Diethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453352
11H-Pyrido(2,1-b)quinazoline-8-carboxamide, N-(4-(1H-imidazol-1-yl)butyl)-2-(1-methylethyl)-11-oxo-, dihydrochloride
CID 24844985
4-(1H-imidazol-1-yl)benzamide
CID 2768493
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
2-(methylthio)-1-(2-nitrobenzoyl)-1H-imidazole
CID 696705
N-(3-acetylphenyl)-3-(1H-imidazol-1-yl)butanamide
CID 24761534
N-Benzyl-N-(1-methyl-1H-imidazol-2-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 10162503
2-Amino-5-chloro-N-(3-imidazol-1-yl-2-methyl-propyl)-benzamide
CID 13952745
2-Amino-N-(3-imidazol-1-yl-butyl)-5-methyl-benzamide
CID 13952764

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one (CID 742176) is 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1CCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one?
The InChIKey is HPXWBMAYHXJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-17-14-6-3-2-5-13(14)15(20)19(12)9-4-8-18-10-7-16-11-18/h2-3,5-7,10-11H,4,8-9H2,1H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one?
3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 742176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).