3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide

C26H23N3O2 — CID 11177317

IUPAC3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(Cc3ccccc3)cnc2c1
InChIInChI=1S/C26H23N3O2/c1-17-7-8-20(25(30)28-21-10-11-21)13-23(17)19-9-12-22-24(14-19)27-16-29(26(22)31)15-18-5-3-2-4-6-18/h2-9,12-14,16,21H,10-11,15H2,1H3,(H,28,30)
InChIKeyZQDKOTPZLQHPBR-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.31
Rot. Bonds5

About 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide

3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 11177317) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
PubChem CID11177317
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(Cc3ccccc3)cnc2c1
InChIInChI=1S/C26H23N3O2/c1-17-7-8-20(25(30)28-21-10-11-21)13-23(17)19-9-12-22-24(14-19)27-16-29(26(22)31)15-18-5-3-2-4-6-18/h2-9,12-14,16,21H,10-11,15H2,1H3,(H,28,30)
InChIKeyZQDKOTPZLQHPBR-UHFFFAOYSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-3-[2-[(6-methyl-3-pyridinyl)methyl]-1-oxoisoquinolin-6-yl]benzamide
CID 67990496
3-[2-benzyl-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-oxoisoquinolin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 25020620
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
N-cyclopropyl-4-methyl-3-(1-oxo-2-prop-2-enylisoquinolin-6-yl)benzamide
CID 25020456
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
N-cyclopropyl-3-[[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
CID 91093209
N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
CID 66671352
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)-2-oxoquinazolin-6-yl]benzamide
CID 23658560
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide (CID 11177317) is 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(Cc3ccccc3)cnc2c1.
What is the InChIKey of 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is ZQDKOTPZLQHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17-7-8-20(25(30)28-21-10-11-21)13-23(17)19-9-12-22-24(14-19)27-16-29(26(22)31)15-18-5-3-2-4-6-18/h2-9,12-14,16,21H,10-11,15H2,1H3,(H,28,30).
What are the key properties of 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide?
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11177317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).