N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C29H31N3O3 — CID 42721644

IUPACN-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
InChIInChI=1S/C29H31N3O3/c1-4-6-20-31(28(33)22-12-8-7-9-13-22)21(3)27-30-26-15-11-10-14-25(26)29(34)32(27)23-16-18-24(19-17-23)35-5-2/h7-19,21H,4-6,20H2,1-3H3
InChIKeyGEAMKASWXLQTBL-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.79
Rot. Bonds9

About N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42721644) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42721644
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
InChIInChI=1S/C29H31N3O3/c1-4-6-20-31(28(33)22-12-8-7-9-13-22)21(3)27-30-26-15-11-10-14-25(26)29(34)32(27)23-16-18-24(19-17-23)35-5-2/h7-19,21H,4-6,20H2,1-3H3
InChIKeyGEAMKASWXLQTBL-UHFFFAOYSA-N
XLogP5.79
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
(E)-N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylprop-2-enamide
CID 6298268
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylcyclopentanecarboxamide
CID 42721516
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721462
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42721522
3-bromo-N-butyl-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4652716
1-butyl-3-tert-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42716709

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42721644) is N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1.
What is the InChIKey of N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is GEAMKASWXLQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-4-6-20-31(28(33)22-12-8-7-9-13-22)21(3)27-30-26-15-11-10-14-25(26)29(34)32(27)23-16-18-24(19-17-23)35-5-2/h7-19,21H,4-6,20H2,1-3H3.
What are the key properties of N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).