2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide

C27H26ClN3O3 — CID 42720910

IUPAC2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide
SMILESCCN(C(=O)C(Cl)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C27H26ClN3O3/c1-4-30(27(33)24(28)19-12-6-5-7-13-19)18(2)25-29-21-15-9-8-14-20(21)26(32)31(25)22-16-10-11-17-23(22)34-3/h5-18,24H,4H2,1-3H3
InChIKeyNJQDMTNIOLWGQT-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.28
Rot. Bonds7

About 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide

2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide (PubChem CID 42720910) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide
PubChem CID42720910
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide
SMILESCCN(C(=O)C(Cl)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C27H26ClN3O3/c1-4-30(27(33)24(28)19-12-6-5-7-13-19)18(2)25-29-21-15-9-8-14-20(21)26(32)31(25)22-16-10-11-17-23(22)34-3/h5-18,24H,4H2,1-3H3
InChIKeyNJQDMTNIOLWGQT-UHFFFAOYSA-N
XLogP5.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 3973669
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
CID 4695441
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
1-benzyl-3-tert-butyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721341
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide (CID 42720910) is 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide is CCN(C(=O)C(Cl)c1ccccc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is NJQDMTNIOLWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-4-30(27(33)24(28)19-12-6-5-7-13-19)18(2)25-29-21-15-9-8-14-20(21)26(32)31(25)22-16-10-11-17-23(22)34-3/h5-18,24H,4H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide?
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 475.98 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 42720910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).