2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol

C19H19ClN6O — CID 46870318

IUPAC2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1NCCO
InChIInChI=1S/C19H19ClN6O/c1-12(24-17-5-7-21-16-6-8-23-26(16)17)14-11-13-3-2-4-15(20)18(13)25-19(14)22-9-10-27/h2-8,11-12,24,27H,9-10H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyAWHKJQXBXAOFGM-LBPRGKRZSA-N
MW382.86 g/mol
LogP3.51
Rot. Bonds6

About 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol

2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol (PubChem CID 46870318) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol
PubChem CID46870318
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1NCCO
InChIInChI=1S/C19H19ClN6O/c1-12(24-17-5-7-21-16-6-8-23-26(16)17)14-11-13-3-2-4-15(20)18(13)25-19(14)22-9-10-27/h2-8,11-12,24,27H,9-10H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyAWHKJQXBXAOFGM-LBPRGKRZSA-N
XLogP3.51
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide
CID 66822082
N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 87337130
8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one
CID 71232680
N-[(1S)-1-[8-chloro-1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 69097668
7-fluoro-8-methyl-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-amine
CID 66822203
1-[[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]amino]-2-methylpropan-2-ol
CID 46871540
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
1-[[3-[1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]amino]-2-methylpropan-2-ol
CID 66822142
tert-butyl N-[(1S)-1-[8-chloro-2-(2-methoxyethylamino)quinolin-3-yl]ethyl]carbamate
CID 140578708
tert-butyl N-[(1S)-1-[8-chloro-2-(pyridin-2-ylmethylamino)quinolin-3-yl]ethyl]carbamate
CID 123948903
1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
CID 66822196
2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996

Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol?
The IUPAC name of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol (CID 46870318) is 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol is C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1NCCO.
What is the InChIKey of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol?
The InChIKey is AWHKJQXBXAOFGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-12(24-17-5-7-21-16-6-8-23-26(16)17)14-11-13-3-2-4-15(20)18(13)25-19(14)22-9-10-27/h2-8,11-12,24,27H,9-10H2,1H3,(H,22,25)/t12-/m0/s1.
What are the key properties of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol?
2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol has a molecular weight of 382.86 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]amino]ethanol is sourced from PubChem (CID 46870318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).