2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol

C12H13ClN2O — CID 126623878

IUPAC2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(Cl)cccc2cc1N
InChIInChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-4-3-5-8(13)10(7)15-11/h3-6,16H,14H2,1-2H3
InChIKeySPONLWMLNYFWGN-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.70
Rot. Bonds1

About 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol

2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol (PubChem CID 126623878) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol
PubChem CID126623878
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(Cl)cccc2cc1N
InChIInChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-4-3-5-8(13)10(7)15-11/h3-6,16H,14H2,1-2H3
InChIKeySPONLWMLNYFWGN-UHFFFAOYSA-N
XLogP2.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoquinolin-2-yl)propan-2-ol;ethane-1,2-disulfonic acid
CID 155717532
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
5-chloro-3-methylnaphthalen-2-amine
CID 142250100
2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol
CID 164562172
1-[[3-[1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]amino]-2-methylpropan-2-ol
CID 66822142
8-chloro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
CID 126544065
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82242197
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
8-chloro-3-iodoquinoline
CID 53438635
CID 157048881
CID 157048881
3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol?
The IUPAC name of 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol (CID 126623878) is 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol is CC(C)(O)c1nc2c(Cl)cccc2cc1N.
What is the InChIKey of 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol?
The InChIKey is SPONLWMLNYFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-4-3-5-8(13)10(7)15-11/h3-6,16H,14H2,1-2H3.
What are the key properties of 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol?
2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol has a molecular weight of 236.70 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 126623878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).