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

C18H18ClN3O — CID 139882552

IUPAC1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol
SMILESNCC(O)CNc1cc2ccccc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-14-7-5-12(6-8-14)18-17(21-11-15(23)10-20)9-13-3-1-2-4-16(13)22-18/h1-9,15,21,23H,10-11,20H2
InChIKeyUJPCGGKBBLZTCW-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.29
Rot. Bonds5

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

1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol (PubChem CID 139882552) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol
PubChem CID139882552
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol
SMILESNCC(O)CNc1cc2ccccc2nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-14-7-5-12(6-8-14)18-17(21-11-15(23)10-20)9-13-3-1-2-4-16(13)22-18/h1-9,15,21,23H,10-11,20H2
InChIKeyUJPCGGKBBLZTCW-UHFFFAOYSA-N
XLogP3.29
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol?
The IUPAC name of 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol (CID 139882552) is 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol is NCC(O)CNc1cc2ccccc2nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol?
The InChIKey is UJPCGGKBBLZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-14-7-5-12(6-8-14)18-17(21-11-15(23)10-20)9-13-3-1-2-4-16(13)22-18/h1-9,15,21,23H,10-11,20H2.
What are the key properties of 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol?
1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol has a molecular weight of 327.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[2-(4-chlorophenyl)quinolin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 139882552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).