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

C27H27N3O3 — CID 42718230

IUPACN-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C27H27N3O3/c1-5-29(26(31)20-12-10-13-21(17-20)33-4)19(3)25-28-23-15-8-7-14-22(23)27(32)30(25)24-16-9-6-11-18(24)2/h6-17,19H,5H2,1-4H3
InChIKeyNEAPBGXBTUWZET-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.93
Rot. Bonds6

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

N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42718230) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42718230
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C27H27N3O3/c1-5-29(26(31)20-12-10-13-21(17-20)33-4)19(3)25-28-23-15-8-7-14-22(23)27(32)30(25)24-16-9-6-11-18(24)2/h6-17,19H,5H2,1-4H3
InChIKeyNEAPBGXBTUWZET-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-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
CID 3299988
4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718225
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
3-bromo-N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbenzamide
CID 3618263
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42722955
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-3-fluorobenzamide
CID 42722451
N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 42718352
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
CID 5225389
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42718230) is N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCN(C(=O)c1cccc(OC)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is NEAPBGXBTUWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-5-29(26(31)20-12-10-13-21(17-20)33-4)19(3)25-28-23-15-8-7-14-22(23)27(32)30(25)24-16-9-6-11-18(24)2/h6-17,19H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-ethyl-3-methoxy-N-[1-[3-(2-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-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42718230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).