2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol

C17H14ClFN2O — CID 133351580

IUPAC2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1F
InChIInChI=1S/C17H14ClFN2O/c18-11-5-6-13-15(7-8-20-16(13)9-11)21-10-17(22)12-3-1-2-4-14(12)19/h1-9,17,22H,10H2,(H,20,21)
InChIKeyYJYUVTMPHZUWSF-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.17
Rot. Bonds4

About 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol

2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 133351580) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID133351580
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1F
InChIInChI=1S/C17H14ClFN2O/c18-11-5-6-13-15(7-8-20-16(13)9-11)21-10-17(22)12-3-1-2-4-14(12)19/h1-9,17,22H,10H2,(H,20,21)
InChIKeyYJYUVTMPHZUWSF-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine
CID 166376547
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
1-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 56950680
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol (CID 133351580) is 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol is OC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1F.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is YJYUVTMPHZUWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-11-5-6-13-15(7-8-20-16(13)9-11)21-10-17(22)12-3-1-2-4-14(12)19/h1-9,17,22H,10H2,(H,20,21).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol?
2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 316.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 133351580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).