N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide

C28H35N3O3 — CID 42720583

IUPACN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
SMILESCOCCN(C(=O)C1CCCCC1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C28H35N3O3/c1-19-14-15-20(2)25(18-19)31-26(29-24-13-9-8-12-23(24)28(31)33)21(3)30(16-17-34-4)27(32)22-10-6-5-7-11-22/h8-9,12-15,18,21-22H,5-7,10-11,16-17H2,1-4H3
InChIKeyNSCWNKHCSLCWES-UHFFFAOYSA-N
MW461.61 g/mol
LogP5.12
Rot. Bonds7

About N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide

N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide (PubChem CID 42720583) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
PubChem CID42720583
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
SMILESCOCCN(C(=O)C1CCCCC1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
InChIInChI=1S/C28H35N3O3/c1-19-14-15-20(2)25(18-19)31-26(29-24-13-9-8-12-23(24)28(31)33)21(3)30(16-17-34-4)27(32)22-10-6-5-7-11-22/h8-9,12-15,18,21-22H,5-7,10-11,16-17H2,1-4H3
InChIKeyNSCWNKHCSLCWES-UHFFFAOYSA-N
XLogP5.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42720586
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclobutanecarboxamide
CID 42720609
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42720633
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclohexanecarboxamide
CID 42719991
N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42723693
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42719994
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42711727
3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpropanamide
CID 42720601
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 42729093
3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide
CID 42720557
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide?
The IUPAC name of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide (CID 42720583) is N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide is COCCN(C(=O)C1CCCCC1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C.
What is the InChIKey of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide?
The InChIKey is NSCWNKHCSLCWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19-14-15-20(2)25(18-19)31-26(29-24-13-9-8-12-23(24)28(31)33)21(3)30(16-17-34-4)27(32)22-10-6-5-7-11-22/h8-9,12-15,18,21-22H,5-7,10-11,16-17H2,1-4H3.
What are the key properties of N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide?
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide has a molecular weight of 461.61 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide is sourced from PubChem (CID 42720583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).