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

C34H25Cl2N3O2 — CID 4560753

IUPACN-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H25Cl2N3O2/c1-22(38(21-23-9-3-2-4-10-23)33(40)28-18-16-26(35)20-30(28)36)32-37-31-14-8-7-13-29(31)34(41)39(32)27-17-15-24-11-5-6-12-25(24)19-27/h2-20,22H,21H2,1H3
InChIKeyMMKQGURMLKOVPQ-UHFFFAOYSA-N
MW578.50 g/mol
LogP8.25
Rot. Bonds6

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

N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 4560753) has the molecular formula C34H25Cl2N3O2 and a molecular weight of 578.50 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID4560753
Molecular FormulaC34H25Cl2N3O2
Molecular Weight578.50 g/mol
Exact Mass577.13
IUPAC NameN-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H25Cl2N3O2/c1-22(38(21-23-9-3-2-4-10-23)33(40)28-18-16-26(35)20-30(28)36)32-37-31-14-8-7-13-29(31)34(41)39(32)27-17-15-24-11-5-6-12-25(24)19-27/h2-20,22H,21H2,1H3
InChIKeyMMKQGURMLKOVPQ-UHFFFAOYSA-N
XLogP8.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.50
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dichloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5149608
2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 5125474
2,4-dichloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5197120
N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 42715988
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898
N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
CID 42720138
3-(3,4-dichlorophenyl)-1-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-1-(2-phenylethyl)urea
CID 4553734
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4553731
2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 4560753) is N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide is CC(c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is MMKQGURMLKOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25Cl2N3O2/c1-22(38(21-23-9-3-2-4-10-23)33(40)28-18-16-26(35)20-30(28)36)32-37-31-14-8-7-13-29(31)34(41)39(32)27-17-15-24-11-5-6-12-25(24)19-27/h2-20,22H,21H2,1H3.
What are the key properties of N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide?
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 578.50 g/mol, XLogP of 8.25, 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-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 4560753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).