N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide

C27H33N3O2 — CID 42721825

IUPACN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C27H33N3O2/c1-4-18-29(26(31)21-10-6-7-11-21)19(3)25-28-24-13-9-8-12-23(24)27(32)30(25)22-16-14-20(5-2)15-17-22/h8-9,12-17,19,21H,4-7,10-11,18H2,1-3H3
InChIKeyLXKMSRXNSOXWSC-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.44
Rot. Bonds7

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide (PubChem CID 42721825) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
PubChem CID42721825
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C27H33N3O2/c1-4-18-29(26(31)21-10-6-7-11-21)19(3)25-28-24-13-9-8-12-23(24)27(32)30(25)22-16-14-20(5-2)15-17-22/h8-9,12-17,19,21H,4-7,10-11,18H2,1-3H3
InChIKeyLXKMSRXNSOXWSC-UHFFFAOYSA-N
XLogP5.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 3906979
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclopentanecarboxamide
CID 42716388
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylcyclopentanecarboxamide
CID 42721516
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclobutanecarboxamide
CID 42720609
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide (CID 42721825) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide is CCCN(C(=O)C1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide?
The InChIKey is LXKMSRXNSOXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-4-18-29(26(31)21-10-6-7-11-21)19(3)25-28-24-13-9-8-12-23(24)27(32)30(25)22-16-14-20(5-2)15-17-22/h8-9,12-17,19,21H,4-7,10-11,18H2,1-3H3.
What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide?
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 42721825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).