1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol

C19H18Cl2N2O — CID 167757522

IUPAC1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(Cl)c2cccnc12)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c20-15-6-3-13(4-7-15)10-16(24)12-22-11-14-5-8-18(21)17-2-1-9-23-19(14)17/h1-9,16,22,24H,10-12H2
InChIKeyQHJCZGSEUQHSDV-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol

1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol (PubChem CID 167757522) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
PubChem CID167757522
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(Cl)c2cccnc12)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c20-15-6-3-13(4-7-15)10-16(24)12-22-11-14-5-8-18(21)17-2-1-9-23-19(14)17/h1-9,16,22,24H,10-12H2
InChIKeyQHJCZGSEUQHSDV-UHFFFAOYSA-N
XLogP4.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol (CID 167757522) is 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol is OC(CNCc1ccc(Cl)c2cccnc12)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol?
The InChIKey is QHJCZGSEUQHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c20-15-6-3-13(4-7-15)10-16(24)12-22-11-14-5-8-18(21)17-2-1-9-23-19(14)17/h1-9,16,22,24H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol?
1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol has a molecular weight of 361.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol is sourced from PubChem (CID 167757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).