N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide

C27H27N3O3 — CID 42711179

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C27H27N3O3/c1-4-29(26(31)21-14-16-22(33-3)17-15-21)19(2)25-28-24-13-9-8-12-23(24)27(32)30(25)18-20-10-6-5-7-11-20/h5-17,19H,4,18H2,1-3H3
InChIKeyDNQUJDWXQGAJIA-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.68
Rot. Bonds7

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide (PubChem CID 42711179) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
PubChem CID42711179
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C27H27N3O3/c1-4-29(26(31)21-14-16-22(33-3)17-15-21)19(2)25-28-24-13-9-8-12-23(24)27(32)30(25)18-20-10-6-5-7-11-20/h5-17,19H,4,18H2,1-3H3
InChIKeyDNQUJDWXQGAJIA-UHFFFAOYSA-N
XLogP4.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-1-(4-methoxyphenyl)-3-phenylurea
CID 5244199
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-4-methoxybenzamide
CID 42721144
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718230
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide (CID 42711179) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)cc1)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide?
The InChIKey is DNQUJDWXQGAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-4-29(26(31)21-14-16-22(33-3)17-15-21)19(2)25-28-24-13-9-8-12-23(24)27(32)30(25)18-20-10-6-5-7-11-20/h5-17,19H,4,18H2,1-3H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide has a molecular weight of 441.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 42711179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).