2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol

C18H16ClN3O3 — CID 133473017

IUPAC2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-18(23,12-4-2-5-13(19)10-12)11-21-16-8-7-15-14(6-3-9-20-15)17(16)22(24)25/h2-10,21,23H,11H2,1H3
InChIKeyGMJWKWFGCHCGOP-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.12
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol

2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol (PubChem CID 133473017) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol
PubChem CID133473017
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3/c1-18(23,12-4-2-5-13(19)10-12)11-21-16-8-7-15-14(6-3-9-20-15)17(16)22(24)25/h2-10,21,23H,11H2,1H3
InChIKeyGMJWKWFGCHCGOP-UHFFFAOYSA-N
XLogP4.12
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472993
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
1-[4-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrophenyl]ethanone
CID 133473129
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
CID 115310824
2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol
CID 133473075
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol (CID 133473017) is 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol is CC(O)(CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol?
The InChIKey is GMJWKWFGCHCGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-18(23,12-4-2-5-13(19)10-12)11-21-16-8-7-15-14(6-3-9-20-15)17(16)22(24)25/h2-10,21,23H,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol?
2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol has a molecular weight of 357.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol is sourced from PubChem (CID 133473017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).