N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide

C31H28N4O3 — CID 53383252

IUPACN-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide
SMILESCOc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)C2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C31H28N4O3/c1-38-24-15-12-20(13-16-24)28-29(30(36)33-23-8-2-3-9-23)35(27-11-5-4-10-26(27)34-28)31(37)22-14-17-25-21(19-22)7-6-18-32-25/h4-7,10-19,23,29H,2-3,8-9H2,1H3,(H,33,36)
InChIKeyBHJPKIFTURBXBN-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.45
Rot. Bonds5

About N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide

N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide (PubChem CID 53383252) has the molecular formula C31H28N4O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide
PubChem CID53383252
Molecular FormulaC31H28N4O3
Molecular Weight504.59 g/mol
Exact Mass504.22
IUPAC NameN-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide
SMILESCOc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)C2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C31H28N4O3/c1-38-24-15-12-20(13-16-24)28-29(30(36)33-23-8-2-3-9-23)35(27-11-5-4-10-26(27)34-28)31(37)22-14-17-25-21(19-22)7-6-18-32-25/h4-7,10-19,23,29H,2-3,8-9H2,1H3,(H,33,36)
InChIKeyBHJPKIFTURBXBN-UHFFFAOYSA-N
XLogP5.45
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 89554768

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide?
The IUPAC name of N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide (CID 53383252) is N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide is COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)C2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide?
The InChIKey is BHJPKIFTURBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3/c1-38-24-15-12-20(13-16-24)28-29(30(36)33-23-8-2-3-9-23)35(27-11-5-4-10-26(27)34-28)31(37)22-14-17-25-21(19-22)7-6-18-32-25/h4-7,10-19,23,29H,2-3,8-9H2,1H3,(H,33,36).
What are the key properties of N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide?
N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-methoxyphenyl)-1-(quinoline-6-carbonyl)-2H-quinoxaline-2-carboxamide is sourced from PubChem (CID 53383252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).