(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone

C31H38ClN3O4 — CID 69173137

IUPAC(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
SMILESCOC(CCCC(O)C1CN(C(=O)C2CCC(N)C2)CCO1)c1cccc(Cl)c1-c1cnc2ccccc2c1
InChIInChI=1S/C31H38ClN3O4/c1-38-28(24-7-4-8-25(32)30(24)22-16-20-6-2-3-9-26(20)34-18-22)11-5-10-27(36)29-19-35(14-15-39-29)31(37)21-12-13-23(33)17-21/h2-4,6-9,16,18,21,23,27-29,36H,5,10-15,17,19,33H2,1H3
InChIKeyKAPNWEARWOVMJU-UHFFFAOYSA-N
MW552.12 g/mol
LogP5.13
Rot. Bonds9

About (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone

(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone (PubChem CID 69173137) has the molecular formula C31H38ClN3O4 and a molecular weight of 552.12 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
PubChem CID69173137
Molecular FormulaC31H38ClN3O4
Molecular Weight552.12 g/mol
Exact Mass551.26
IUPAC Name(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
SMILESCOC(CCCC(O)C1CN(C(=O)C2CCC(N)C2)CCO1)c1cccc(Cl)c1-c1cnc2ccccc2c1
InChIInChI=1S/C31H38ClN3O4/c1-38-28(24-7-4-8-25(32)30(24)22-16-20-6-2-3-9-26(20)34-18-22)11-5-10-27(36)29-19-35(14-15-39-29)31(37)21-12-13-23(33)17-21/h2-4,6-9,16,18,21,23,27-29,36H,5,10-15,17,19,33H2,1H3
InChIKeyKAPNWEARWOVMJU-UHFFFAOYSA-N
XLogP5.13
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.12
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-[(1R)-1-[4-chloro-3-(3-ethylphenyl)-2-pyridinyl]-1-hydroxy-5-methoxypentyl]morpholin-4-yl]-[(1R,3S)-3-(methylamino)cyclopentyl]methanone
CID 25055357
[4-(aminomethyl)phenyl]-[2-[(1R)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 25095826
methyl N-[4-(3-chloro-2-quinolin-3-ylphenyl)-4-hydroxy-4-[1-[4-(methylamino)butanoyl]piperidin-3-yl]butyl]carbamate
CID 44181051
[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]-[(2R)-2-[(1R)-1-(3-chloro-2-pyridin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918071
[(1R,3S)-3-aminocyclopentyl]-[(2R)-2-[(1R)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918118
[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]-[(2R)-2-[(1S)-1-(3-chloro-2-pyridin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918150
[(1R,3S)-3-aminocyclopentyl]-[(3R)-3-[(1R)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl]methanone
CID 57918181
methyl N-[(4S)-4-[(3R)-1-[(1S,3R,4S)-3-amino-4-hydroxycyclopentanecarbonyl]piperidin-3-yl]-4-(3-chloro-2-quinolin-3-ylphenyl)-4-hydroxybutyl]carbamate
CID 57918199
[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]-[(2R)-2-[(1R)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918231
[(1R,3S)-3-aminocyclopentyl]-[(2R)-2-[(1R)-1-(3-chloro-2-isoquinolin-4-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918259
[(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]-[(2R)-2-[(1S)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918269
[4-(aminomethyl)phenyl]-[(2R)-2-[(1S)-1-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 57918270

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone (CID 69173137) is (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone is COC(CCCC(O)C1CN(C(=O)C2CCC(N)C2)CCO1)c1cccc(Cl)c1-c1cnc2ccccc2c1.
What is the InChIKey of (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone?
The InChIKey is KAPNWEARWOVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClN3O4/c1-38-28(24-7-4-8-25(32)30(24)22-16-20-6-2-3-9-26(20)34-18-22)11-5-10-27(36)29-19-35(14-15-39-29)31(37)21-12-13-23(33)17-21/h2-4,6-9,16,18,21,23,27-29,36H,5,10-15,17,19,33H2,1H3.
What are the key properties of (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone?
(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone has a molecular weight of 552.12 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone is sourced from PubChem (CID 69173137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).