[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid

C17H20ClN3O3 — CID 66822305

IUPAC[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1cc2cccc(Cl)c2nc1NC[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O3/c1-10(20-17(22)23)13-8-11-4-2-6-14(18)15(11)21-16(13)19-9-12-5-3-7-24-12/h2,4,6,8,10,12,20H,3,5,7,9H2,1H3,(H,19,21)(H,22,23)/t10-,12-/m0/s1
InChIKeyVBKCHOXZAUAPNY-JQWIXIFHSA-N
MW349.82 g/mol
LogP3.81
Rot. Bonds5

About [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid

[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid (PubChem CID 66822305) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid
PubChem CID66822305
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1cc2cccc(Cl)c2nc1NC[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O3/c1-10(20-17(22)23)13-8-11-4-2-6-14(18)15(11)21-16(13)19-9-12-5-3-7-24-12/h2,4,6,8,10,12,20H,3,5,7,9H2,1H3,(H,19,21)(H,22,23)/t10-,12-/m0/s1
InChIKeyVBKCHOXZAUAPNY-JQWIXIFHSA-N
XLogP3.81
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid 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

[(1S)-1-[8-chloro-2-[[(2R)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid
CID 66822147
[(1S)-1-[8-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethyl]carbamic acid
CID 66776722
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
tert-butyl N-[(1S)-1-[8-chloro-2-(2-methoxyethylamino)quinolin-3-yl]ethyl]carbamate
CID 140578708
2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037839
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-[8-chloro-2-[methyl(pyridin-2-yl)amino]quinolin-3-yl]ethylcarbamic acid
CID 66822641
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid (CID 66822305) is [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid is C[C@H](NC(=O)O)c1cc2cccc(Cl)c2nc1NC[C@@H]1CCCO1.
What is the InChIKey of [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid?
The InChIKey is VBKCHOXZAUAPNY-JQWIXIFHSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10(20-17(22)23)13-8-11-4-2-6-14(18)15(11)21-16(13)19-9-12-5-3-7-24-12/h2,4,6,8,10,12,20H,3,5,7,9H2,1H3,(H,19,21)(H,22,23)/t10-,12-/m0/s1.
What are the key properties of [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid?
[(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid has a molecular weight of 349.82 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[8-chloro-2-[[(2S)-oxolan-2-yl]methylamino]quinolin-3-yl]ethyl]carbamic acid is sourced from PubChem (CID 66822305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).