2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide

C32H30ClN3O2 — CID 5125474

IUPAC2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCC(C)CCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C32H30ClN3O2/c1-21(2)18-19-35(31(37)26-12-6-8-14-28(26)33)22(3)30-34-29-15-9-7-13-27(29)32(38)36(30)25-17-16-23-10-4-5-11-24(23)20-25/h4-17,20-22H,18-19H2,1-3H3
InChIKeyWTPKNZYLZDYXGN-UHFFFAOYSA-N
MW524.06 g/mol
LogP7.44
Rot. Bonds7

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

2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 5125474) has the molecular formula C32H30ClN3O2 and a molecular weight of 524.06 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID5125474
Molecular FormulaC32H30ClN3O2
Molecular Weight524.06 g/mol
Exact Mass523.20
IUPAC Name2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCC(C)CCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C32H30ClN3O2/c1-21(2)18-19-35(31(37)26-12-6-8-14-28(26)33)22(3)30-34-29-15-9-7-13-27(29)32(38)36(30)25-17-16-23-10-4-5-11-24(23)20-25/h4-17,20-22H,18-19H2,1-3H3
InChIKeyWTPKNZYLZDYXGN-UHFFFAOYSA-N
XLogP7.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.06
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42721522
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4560753
ethyl 4-[3-methylbutyl-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42721094
2-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42716924
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719036
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42719639
3-bromo-N-butyl-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4652716
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 42718523
3-bromo-N-[2-(dimethylamino)ethyl]-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42721379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 5125474) is 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide is CC(C)CCN(C(=O)c1ccccc1Cl)C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is WTPKNZYLZDYXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN3O2/c1-21(2)18-19-35(31(37)26-12-6-8-14-28(26)33)22(3)30-34-29-15-9-7-13-27(29)32(38)36(30)25-17-16-23-10-4-5-11-24(23)20-25/h4-17,20-22H,18-19H2,1-3H3.
What are the key properties of 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 524.06 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 5125474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).