4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide

C27H35N3O2 — CID 7412483

IUPAC4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCC)[C@@H](C)c2nc3ccccc3c(=O)n2CCC)cc1
InChIInChI=1S/C27H35N3O2/c1-5-8-11-21-14-16-22(17-15-21)26(31)29(18-6-2)20(4)25-28-24-13-10-9-12-23(24)27(32)30(25)19-7-3/h9-10,12-17,20H,5-8,11,18-19H2,1-4H3/t20-/m0/s1
InChIKeyCTDVMPZGGBSFFM-FQEVSTJZSA-N
MW433.60 g/mol
LogP5.76
Rot. Bonds10

About 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide

4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide (PubChem CID 7412483) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
PubChem CID7412483
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCC)[C@@H](C)c2nc3ccccc3c(=O)n2CCC)cc1
InChIInChI=1S/C27H35N3O2/c1-5-8-11-21-14-16-22(17-15-21)26(31)29(18-6-2)20(4)25-28-24-13-10-9-12-23(24)27(32)30(25)19-7-3/h9-10,12-17,20H,5-8,11,18-19H2,1-4H3/t20-/m0/s1
InChIKeyCTDVMPZGGBSFFM-FQEVSTJZSA-N
XLogP5.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
CID 5141627
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 42657450
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42725664

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide?
The IUPAC name of 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide (CID 7412483) is 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide?
The canonical SMILES for 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide is CCCCc1ccc(C(=O)N(CCC)[C@@H](C)c2nc3ccccc3c(=O)n2CCC)cc1.
What is the InChIKey of 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide?
The InChIKey is CTDVMPZGGBSFFM-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-5-8-11-21-14-16-22(17-15-21)26(31)29(18-6-2)20(4)25-28-24-13-10-9-12-23(24)27(32)30(25)19-7-3/h9-10,12-17,20H,5-8,11,18-19H2,1-4H3/t20-/m0/s1.
What are the key properties of 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide?
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide has a molecular weight of 433.60 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide is sourced from PubChem (CID 7412483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).