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

C31H24Cl3N3O2 — CID 5149608

IUPACN-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C31H24Cl3N3O2/c1-19-25(33)12-8-14-28(19)37-29(35-27-13-7-6-11-24(27)31(37)39)20(2)36(18-21-9-4-3-5-10-21)30(38)23-16-15-22(32)17-26(23)34/h3-17,20H,18H2,1-2H3
InChIKeyLAURWCQPZRDGEM-UHFFFAOYSA-N
MW576.91 g/mol
LogP8.06
Rot. Bonds6

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

N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 5149608) has the molecular formula C31H24Cl3N3O2 and a molecular weight of 576.91 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID5149608
Molecular FormulaC31H24Cl3N3O2
Molecular Weight576.91 g/mol
Exact Mass575.09
IUPAC NameN-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1c(Cl)cccc1-n1c(C(C)N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C31H24Cl3N3O2/c1-19-25(33)12-8-14-28(19)37-29(35-27-13-7-6-11-24(27)31(37)39)20(2)36(18-21-9-4-3-5-10-21)30(38)23-16-15-22(32)17-26(23)34/h3-17,20H,18H2,1-2H3
InChIKeyLAURWCQPZRDGEM-UHFFFAOYSA-N
XLogP8.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.91
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4560753
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4553731
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42721056
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 42657599
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-pentylfuran-2-carboxamide
CID 42720429
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
CID 42719674
2,4-dichloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5197120
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42719639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 5149608) is N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is Cc1c(Cl)cccc1-n1c(C(C)N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is LAURWCQPZRDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl3N3O2/c1-19-25(33)12-8-14-28(19)37-29(35-27-13-7-6-11-24(27)31(37)39)20(2)36(18-21-9-4-3-5-10-21)30(38)23-16-15-22(32)17-26(23)34/h3-17,20H,18H2,1-2H3.
What are the key properties of N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 576.91 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 5149608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).