N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C23H24N2O3 — CID 1223033

IUPACN-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-27-21-12-11-15(13-22(21)28-2)20-14-18(17-9-5-6-10-19(17)25-20)23(26)24-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyDEGVEGIKCMPYJW-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds5

About N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1223033) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1223033
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-27-21-12-11-15(13-22(21)28-2)20-14-18(17-9-5-6-10-19(17)25-20)23(26)24-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyDEGVEGIKCMPYJW-UHFFFAOYSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1223033) is N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is DEGVEGIKCMPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-12-11-15(13-22(21)28-2)20-14-18(17-9-5-6-10-19(17)25-20)23(26)24-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1223033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).