(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol

C14H18ClN3O — CID 125435920

IUPAC(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)CNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C14H18ClN3O/c1-18(2)9-12(19)8-16-14-6-3-10-7-11(15)4-5-13(10)17-14/h3-7,12,19H,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyAAWSOJWYBMPHMM-LBPRGKRZSA-N
MW279.77 g/mol
LogP2.22
Rot. Bonds5

About (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol

(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol (PubChem CID 125435920) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol
PubChem CID125435920
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)CNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C14H18ClN3O/c1-18(2)9-12(19)8-16-14-6-3-10-7-11(15)4-5-13(10)17-14/h3-7,12,19H,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyAAWSOJWYBMPHMM-LBPRGKRZSA-N
XLogP2.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol with MolForge

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Related Compounds

3-[(6-Chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
CID 1904923
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
2-[(Quinolin-2-yl)amino]ethan-1-ol
CID 593855
2-({2-[(3,4-Dichlorophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2974249
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
3-[2-(4-Chloro-phenyl)-quinazolin-4-ylamino]-propan-1-ol
CID 1580594
2-[[2-(4-Chloroanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2951954
6-Chloro-2-(4-methyl-piperazinyl)-quinoline
CID 12741697
2-[[6-Chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 25178344
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178937
6-chloro-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25179300
3-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]propan-1-ol
CID 136264086

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol (CID 125435920) is (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol is CN(C)C[C@@H](O)CNc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is AAWSOJWYBMPHMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-18(2)9-12(19)8-16-14-6-3-10-7-11(15)4-5-13(10)17-14/h3-7,12,19H,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol?
(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 125435920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).