4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline

C19H17ClN2O3 — CID 110167975

IUPAC4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline
SMILESCC(C)COc1cc(-c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H17ClN2O3/c1-12(2)11-25-19-10-15(14-5-3-4-6-17(14)20)16-9-13(22(23)24)7-8-18(16)21-19/h3-10,12H,11H2,1-2H3
InChIKeyPPXOCYIFAJDMQV-UHFFFAOYSA-N
MW356.81 g/mol
LogP5.50
Rot. Bonds5

About 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline

4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline (PubChem CID 110167975) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline
PubChem CID110167975
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline
SMILESCC(C)COc1cc(-c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H17ClN2O3/c1-12(2)11-25-19-10-15(14-5-3-4-6-17(14)20)16-9-13(22(23)24)7-8-18(16)21-19/h3-10,12H,11H2,1-2H3
InChIKeyPPXOCYIFAJDMQV-UHFFFAOYSA-N
XLogP5.50
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.81
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
3-[[4-(2-chlorophenyl)phenyl]methyl]-2-methyl-6-nitroquinazolin-4-one
CID 1174088
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
2-(2-chloro-4-nitrophenyl)quinoxaline
CID 134092942
1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
CID 91404265
methyl 2-[2-(2-chlorophenyl)-4-nitrophenoxy]acetate
CID 165352732
2-chloro-6-nitro-4-propoxyquinoline
CID 155587986

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline?
The IUPAC name of 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline (CID 110167975) is 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline is CC(C)COc1cc(-c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline?
The InChIKey is PPXOCYIFAJDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12(2)11-25-19-10-15(14-5-3-4-6-17(14)20)16-9-13(22(23)24)7-8-18(16)21-19/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline?
4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline has a molecular weight of 356.81 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline is sourced from PubChem (CID 110167975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).