N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

C34H26BrN3O2 — CID 42715988

IUPACN-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C34H26BrN3O2/c1-23(32-36-31-17-8-7-15-30(31)34(40)38(32)27-20-18-26(35)19-21-27)37(22-24-10-3-2-4-11-24)33(39)29-16-9-13-25-12-5-6-14-28(25)29/h2-21,23H,22H2,1H3
InChIKeyXYZALOBWOMPSGK-UHFFFAOYSA-N
MW588.51 g/mol
LogP7.70
Rot. Bonds6

About N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 42715988) has the molecular formula C34H26BrN3O2 and a molecular weight of 588.51 g/mol. Its IUPAC name is N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
PubChem CID42715988
Molecular FormulaC34H26BrN3O2
Molecular Weight588.51 g/mol
Exact Mass587.12
IUPAC NameN-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C34H26BrN3O2/c1-23(32-36-31-17-8-7-15-30(31)34(40)38(32)27-20-18-26(35)19-21-27)37(22-24-10-3-2-4-11-24)33(39)29-16-9-13-25-12-5-6-14-28(25)29/h2-21,23H,22H2,1H3
InChIKeyXYZALOBWOMPSGK-UHFFFAOYSA-N
XLogP7.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.51
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-naphthalen-1-ylurea
CID 42716115
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4560753
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 42715967
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 4014746
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-methylbenzamide
CID 42716330
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,3-dichlorophenyl)urea
CID 3893628
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methoxy-N-methylbenzamide
CID 42716340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (CID 42715988) is N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is CC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(Cc1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is XYZALOBWOMPSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26BrN3O2/c1-23(32-36-31-17-8-7-15-30(31)34(40)38(32)27-20-18-26(35)19-21-27)37(22-24-10-3-2-4-11-24)33(39)29-16-9-13-25-12-5-6-14-28(25)29/h2-21,23H,22H2,1H3.
What are the key properties of N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 588.51 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42715988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).