N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide

C27H26N4O3 — CID 24655533

IUPACN-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCc1cccc2c(=O)n(CC(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)cnc12
InChIInChI=1S/C27H26N4O3/c1-18-9-7-14-23-25(18)28-17-31(27(23)34)16-24(32)30(3)19(2)21-12-8-13-22(15-21)29-26(33)20-10-5-4-6-11-20/h4-15,17,19H,16H2,1-3H3,(H,29,33)
InChIKeyPQCPVYCOMKGFCU-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 24655533) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID24655533
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCc1cccc2c(=O)n(CC(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)cnc12
InChIInChI=1S/C27H26N4O3/c1-18-9-7-14-23-25(18)28-17-31(27(23)34)16-24(32)30(3)19(2)21-12-8-13-22(15-21)29-26(33)20-10-5-4-6-11-20/h4-15,17,19H,16H2,1-3H3,(H,29,33)
InChIKeyPQCPVYCOMKGFCU-UHFFFAOYSA-N
XLogP4.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 24647786
N-[3-[(1R)-1-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]-methylamino]ethyl]phenyl]benzamide
CID 51728404
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 46688043
N-[3-[1-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46533516
2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide (CID 24655533) is N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide is Cc1cccc2c(=O)n(CC(=O)N(C)C(C)c3cccc(NC(=O)c4ccccc4)c3)cnc12.
What is the InChIKey of N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is PQCPVYCOMKGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-9-7-14-23-25(18)28-17-31(27(23)34)16-24(32)30(3)19(2)21-12-8-13-22(15-21)29-26(33)20-10-5-4-6-11-20/h4-15,17,19H,16H2,1-3H3,(H,29,33).
What are the key properties of N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 24655533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).