4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide

C23H23N5O3 — CID 118058874

IUPAC4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
SMILESNC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21
InChIInChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29)
InChIKeyLCSWHHOHVJMUFU-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.16
Rot. Bonds7

About 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide

4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide (PubChem CID 118058874) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide.

Molecular Properties

Compound Name4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
PubChem CID118058874
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
SMILESNC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21
InChIInChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29)
InChIKeyLCSWHHOHVJMUFU-UHFFFAOYSA-N
XLogP2.16
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
N-[(3-{4-[(2,5-dioxoimidazolidin-4-yl)acetyl]piperazin-1-yl}phenyl)methyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide
CID 136054498
Benzimidazo(2,1-b)quinazolin-12(6H)-one
CID 199411
3-ethyl-2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]quinazolin-4-one
CID 6517412
3-Methyl-2-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylmethyl)-3H-quinazolin-4-one
CID 3132854
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
CID 5786987
3-Ethyl-2-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3H-quinazolin-4-one
CID 135424992
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
CID 135517023
N-(2-aminophenyl)-4-((2-methyl-4-oxoquinazolin-3(4H)-yl)methyl)benzamide
CID 10271347
1-(3-Methylbutyl)-2-[[3-(1-methylsulfonylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]methyl]quinazolin-4-one
CID 91755008
2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 136240092
2-(4-Oxo-2-piperidin-1-ylmethyl-4H-quinazolin-3-yl)-N-phenyl-acetamide
CID 651008

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The IUPAC name of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide (CID 118058874) is 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide.
What is the SMILES notation for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The canonical SMILES for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide is NC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21.
What is the InChIKey of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The InChIKey is LCSWHHOHVJMUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29).
What are the key properties of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide has a molecular weight of 417.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide is sourced from PubChem (CID 118058874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).