2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol

C25H24ClN3O — CID 126531166

IUPAC2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2ccc(-c3ccc(C(C)(C)O)cc3)cc12)c1ccccn1
InChIInChI=1S/C25H24ClN3O/c1-16(22-6-4-5-13-27-22)29-24-20-14-18(9-12-23(20)28-15-21(24)26)17-7-10-19(11-8-17)25(2,3)30/h4-16,30H,1-3H3,(H,28,29)
InChIKeyVXJAVUFQPHDLLI-UHFFFAOYSA-N
MW417.94 g/mol
LogP6.35
Rot. Bonds5

About 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol

2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol (PubChem CID 126531166) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol
PubChem CID126531166
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2ccc(-c3ccc(C(C)(C)O)cc3)cc12)c1ccccn1
InChIInChI=1S/C25H24ClN3O/c1-16(22-6-4-5-13-27-22)29-24-20-14-18(9-12-23(20)28-15-21(24)26)17-7-10-19(11-8-17)25(2,3)30/h4-16,30H,1-3H3,(H,28,29)
InChIKeyVXJAVUFQPHDLLI-UHFFFAOYSA-N
XLogP6.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[3-chloro-4-[[(1R)-1-chloroethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 145244491
3-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
CID 126532026
3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine
CID 126531696
2-[5-[3-[(1R)-1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]pyrimidin-2-yl]propan-2-ol
CID 126531760
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
1-[3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]ethanone
CID 126532093
3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzoic acid
CID 126531644
2-[5-[3-chloro-4-[[(1R)-1-(2-fluoro-5-methylsulfonylphenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126531168
1-[3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]ethane-1,2-diol
CID 126530699
2-[5-[3-chloro-4-[[(1R)-1-(2-fluoro-5-pyrrolidin-1-ylphenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126530701
3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluoro-N,N-dimethylbenzamide
CID 126530994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol (CID 126531166) is 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol is CC(Nc1c(Cl)cnc2ccc(-c3ccc(C(C)(C)O)cc3)cc12)c1ccccn1.
What is the InChIKey of 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol?
The InChIKey is VXJAVUFQPHDLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-16(22-6-4-5-13-27-22)29-24-20-14-18(9-12-23(20)28-15-21(24)26)17-7-10-19(11-8-17)25(2,3)30/h4-16,30H,1-3H3,(H,28,29).
What are the key properties of 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol?
2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol has a molecular weight of 417.94 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-4-(1-pyridin-2-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol is sourced from PubChem (CID 126531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).