N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide

C23H25N3O2 — CID 43817563

IUPACN-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide
SMILESCOc1ccccc1NC(C(=O)NC1CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-5-4-10-20(21)26-22(23(27)25-18-8-2-3-9-18)17-12-13-19-16(15-17)7-6-14-24-19/h4-7,10-15,18,22,26H,2-3,8-9H2,1H3,(H,25,27)
InChIKeyOLSGPLXLKUHNKK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.46
Rot. Bonds6

About N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide

N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide (PubChem CID 43817563) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide
PubChem CID43817563
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide
SMILESCOc1ccccc1NC(C(=O)NC1CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-5-4-10-20(21)26-22(23(27)25-18-8-2-3-9-18)17-12-13-19-16(15-17)7-6-14-24-19/h4-7,10-15,18,22,26H,2-3,8-9H2,1H3,(H,25,27)
InChIKeyOLSGPLXLKUHNKK-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
[cyclopentyl(quinolin-6-yl)methyl]hydrazine
CID 105204471
N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide
CID 25409845
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
2-(2-methoxyanilino)-2-(6-methyl-3-pyridinyl)acetamide
CID 104822455
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide (CID 43817563) is N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide is COc1ccccc1NC(C(=O)NC1CCCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide?
The InChIKey is OLSGPLXLKUHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-21-11-5-4-10-20(21)26-22(23(27)25-18-8-2-3-9-18)17-12-13-19-16(15-17)7-6-14-24-19/h4-7,10-15,18,22,26H,2-3,8-9H2,1H3,(H,25,27).
What are the key properties of N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide?
N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide has a molecular weight of 375.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide is sourced from PubChem (CID 43817563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).