N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C27H27N3O3 — CID 42723568

IUPACN-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C27H27N3O3/c1-5-29(26(31)20-11-7-6-8-12-20)19(3)25-28-22-14-10-9-13-21(22)27(32)30(25)23-17-18(2)15-16-24(23)33-4/h6-17,19H,5H2,1-4H3
InChIKeyKCFWGGRWSRXYPP-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.93
Rot. Bonds6

About N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42723568) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42723568
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
InChIInChI=1S/C27H27N3O3/c1-5-29(26(31)20-11-7-6-8-12-20)19(3)25-28-22-14-10-9-13-21(22)27(32)30(25)23-17-18(2)15-16-24(23)33-4/h6-17,19H,5H2,1-4H3
InChIKeyKCFWGGRWSRXYPP-UHFFFAOYSA-N
XLogP4.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723571
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
CID 5225391
3-bromo-N-butyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3937988
4-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42723660
3-ethyl-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42723244
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42723210
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
2-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42723598
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 3594369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42723568) is N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCN(C(=O)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is KCFWGGRWSRXYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-5-29(26(31)20-11-7-6-8-12-20)19(3)25-28-22-14-10-9-13-21(22)27(32)30(25)23-17-18(2)15-16-24(23)33-4/h6-17,19H,5H2,1-4H3.
What are the key properties of N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42723568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).