1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol

C19H19ClN2O — CID 18432982

IUPAC1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol
SMILESCc1ccc(-c2cc(NCC(C)O)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-12-7-8-14(9-16(12)20)18-10-19(21-11-13(2)23)15-5-3-4-6-17(15)22-18/h3-10,13,23H,11H2,1-2H3,(H,21,22)
InChIKeyJZVZLICYCUZMOT-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.66
Rot. Bonds4

About 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol

1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol (PubChem CID 18432982) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol
PubChem CID18432982
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol
SMILESCc1ccc(-c2cc(NCC(C)O)c3ccccc3n2)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-12-7-8-14(9-16(12)20)18-10-19(21-11-13(2)23)15-5-3-4-6-17(15)22-18/h3-10,13,23H,11H2,1-2H3,(H,21,22)
InChIKeyJZVZLICYCUZMOT-UHFFFAOYSA-N
XLogP4.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol (CID 18432982) is 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol is Cc1ccc(-c2cc(NCC(C)O)c3ccccc3n2)cc1Cl.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol?
The InChIKey is JZVZLICYCUZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-12-7-8-14(9-16(12)20)18-10-19(21-11-13(2)23)15-5-3-4-6-17(15)22-18/h3-10,13,23H,11H2,1-2H3,(H,21,22).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol?
1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol has a molecular weight of 326.83 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 18432982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).