2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide

C24H23N3O3 — CID 154851012

IUPAC2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H23N3O3/c1-15(17-10-7-11-18(14-17)21(28)16-8-3-2-4-9-16)22(29)26-24-25-20-13-6-5-12-19(20)23(30)27-24/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,25,26,27,29,30)
InChIKeyIXBNTORLQRVDHF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds5

About 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide

2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (PubChem CID 154851012) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
PubChem CID154851012
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H23N3O3/c1-15(17-10-7-11-18(14-17)21(28)16-8-3-2-4-9-16)22(29)26-24-25-20-13-6-5-12-19(20)23(30)27-24/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,25,26,27,29,30)
InChIKeyIXBNTORLQRVDHF-UHFFFAOYSA-N
XLogP3.62
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (CID 154851012) is 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is CC(C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The InChIKey is IXBNTORLQRVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15(17-10-7-11-18(14-17)21(28)16-8-3-2-4-9-16)22(29)26-24-25-20-13-6-5-12-19(20)23(30)27-24/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,25,26,27,29,30).
What are the key properties of 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 154851012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).