N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide

C28H28ClN3O2 — CID 42711344

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H28ClN3O2/c1-19(2)17-31(27(33)22-13-15-23(29)16-14-22)20(3)26-30-25-12-8-7-11-24(25)28(34)32(26)18-21-9-5-4-6-10-21/h4-16,19-20H,17-18H2,1-3H3
InChIKeyDMQDKSTXLYCMET-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.96
Rot. Bonds7

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide (PubChem CID 42711344) has the molecular formula C28H28ClN3O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
PubChem CID42711344
Molecular FormulaC28H28ClN3O2
Molecular Weight474.00 g/mol
Exact Mass473.19
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H28ClN3O2/c1-19(2)17-31(27(33)22-13-15-23(29)16-14-22)20(3)26-30-25-12-8-7-11-24(25)28(34)32(26)18-21-9-5-4-6-10-21/h4-16,19-20H,17-18H2,1-3H3
InChIKeyDMQDKSTXLYCMET-UHFFFAOYSA-N
XLogP5.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
CID 42711179
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 42711616
4-bromo-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 3894886
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 3987669
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
methyl 3-[2-[1-[(2,4-dichlorobenzoyl)-(2-methylpropyl)amino]ethyl]-4-oxoquinazolin-3-yl]propanoate
CID 42725686
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
CID 42714905
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
CID 42717832

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide (CID 42711344) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide?
The InChIKey is DMQDKSTXLYCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O2/c1-19(2)17-31(27(33)22-13-15-23(29)16-14-22)20(3)26-30-25-12-8-7-11-24(25)28(34)32(26)18-21-9-5-4-6-10-21/h4-16,19-20H,17-18H2,1-3H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide has a molecular weight of 474.00 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42711344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).