7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine

C18H15Cl2N3O4 — CID 175295327

IUPAC7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine
SMILESCOc1cc2c(Nc3ccccc3Cl)c([N+](=O)[O-])cnc2cc1OCCCl
InChIInChI=1S/C18H15Cl2N3O4/c1-26-16-8-11-14(9-17(16)27-7-6-19)21-10-15(23(24)25)18(11)22-13-5-3-2-4-12(13)20/h2-5,8-10H,6-7H2,1H3,(H,21,22)
InChIKeyUSWOSJIKFULFDK-UHFFFAOYSA-N
MW408.24 g/mol
LogP5.17
Rot. Bonds7

About 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine

7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine (PubChem CID 175295327) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine.

Molecular Properties

Compound Name7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine
PubChem CID175295327
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine
SMILESCOc1cc2c(Nc3ccccc3Cl)c([N+](=O)[O-])cnc2cc1OCCCl
InChIInChI=1S/C18H15Cl2N3O4/c1-26-16-8-11-14(9-17(16)27-7-6-19)21-10-15(23(24)25)18(11)22-13-5-3-2-4-12(13)20/h2-5,8-10H,6-7H2,1H3,(H,21,22)
InChIKeyUSWOSJIKFULFDK-UHFFFAOYSA-N
XLogP5.17
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[benzyl(methyl)amino]propoxy]-6-methoxy-3-nitro-N-phenylquinolin-4-amine
CID 155514346
6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine
CID 175295319
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
tert-butyl N-[[4-[(6,7-dimethoxy-3-nitroquinolin-4-yl)amino]phenyl]methyl]carbamate
CID 149091574
4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 23498091
7-(2-chloroethoxy)-6-methoxy-3-nitro-1H-quinolin-4-one
CID 164853282
N-(2-chlorophenyl)-6,7-dimethoxycinnolin-4-amine
CID 69368648
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
4-(3-chloropropoxy)-5-methoxy-N-methyl-2-nitroaniline
CID 142317770
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine?
The IUPAC name of 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine (CID 175295327) is 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine.
What is the SMILES notation for 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine?
The canonical SMILES for 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine is COc1cc2c(Nc3ccccc3Cl)c([N+](=O)[O-])cnc2cc1OCCCl.
What is the InChIKey of 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine?
The InChIKey is USWOSJIKFULFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-26-16-8-11-14(9-17(16)27-7-6-19)21-10-15(23(24)25)18(11)22-13-5-3-2-4-12(13)20/h2-5,8-10H,6-7H2,1H3,(H,21,22).
What are the key properties of 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine?
7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine has a molecular weight of 408.24 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-N-(2-chlorophenyl)-6-methoxy-3-nitroquinolin-4-amine is sourced from PubChem (CID 175295327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).