N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide

C29H24ClN3O2 — CID 42719674

IUPACN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C29H24ClN3O2/c1-18-24(30)12-8-14-26(18)33-27(31-25-13-7-6-11-23(25)29(33)35)19(2)32(3)28(34)22-16-15-20-9-4-5-10-21(20)17-22/h4-17,19H,1-3H3
InChIKeyRNNHKIUFUSAZSQ-UHFFFAOYSA-N
MW481.98 g/mol
LogP6.33
Rot. Bonds4

About N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide

N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 42719674) has the molecular formula C29H24ClN3O2 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
PubChem CID42719674
Molecular FormulaC29H24ClN3O2
Molecular Weight481.98 g/mol
Exact Mass481.16
IUPAC NameN-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C29H24ClN3O2/c1-18-24(30)12-8-14-26(18)33-27(31-25-13-7-6-11-23(25)29(33)35)19(2)32(3)28(34)22-16-15-20-9-4-5-10-21(20)17-22/h4-17,19H,1-3H3
InChIKeyRNNHKIUFUSAZSQ-UHFFFAOYSA-N
XLogP6.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42719659
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 42657599
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42720870
N-methyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711578
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42721056
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5149608
N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 59079749
N-[1-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 66689613
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide (CID 42719674) is N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide is Cc1c(Cl)cccc1-n1c(C(C)N(C)C(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is RNNHKIUFUSAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O2/c1-18-24(30)12-8-14-26(18)33-27(31-25-13-7-6-11-23(25)29(33)35)19(2)32(3)28(34)22-16-15-20-9-4-5-10-21(20)17-22/h4-17,19H,1-3H3.
What are the key properties of N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 42719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).