4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide

C22H23ClN4O3 — CID 60532069

IUPAC4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)cnc12
InChIInChI=1S/C22H23ClN4O3/c1-13(2)25-21(29)15-7-8-17(23)18(11-15)26-19(28)9-10-27-12-24-20-14(3)5-4-6-16(20)22(27)30/h4-8,11-13H,9-10H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCCPBSRPMTXXSRV-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.53
Rot. Bonds6

About 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide

4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 60532069) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID60532069
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)cnc12
InChIInChI=1S/C22H23ClN4O3/c1-13(2)25-21(29)15-7-8-17(23)18(11-15)26-19(28)9-10-27-12-24-20-14(3)5-4-6-16(20)22(27)30/h4-8,11-13H,9-10H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCCPBSRPMTXXSRV-UHFFFAOYSA-N
XLogP3.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51132997
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide (CID 60532069) is 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide is Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C(=O)NC(C)C)ccc3Cl)cnc12.
What is the InChIKey of 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is CCPBSRPMTXXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-13(2)25-21(29)15-7-8-17(23)18(11-15)26-19(28)9-10-27-12-24-20-14(3)5-4-6-16(20)22(27)30/h4-8,11-13H,9-10H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 426.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60532069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).