7-methoxy-N-(3-nitrophenyl)quinolin-4-amine

C16H13N3O3 — CID 50877915

IUPAC7-methoxy-N-(3-nitrophenyl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1
InChIInChI=1S/C16H13N3O3/c1-22-13-5-6-14-15(7-8-17-16(14)10-13)18-11-3-2-4-12(9-11)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyHNLIUWZADQAOQP-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.90
Rot. Bonds4

About 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine

7-methoxy-N-(3-nitrophenyl)quinolin-4-amine (PubChem CID 50877915) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-nitrophenyl)quinolin-4-amine
PubChem CID50877915
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name7-methoxy-N-(3-nitrophenyl)quinolin-4-amine
SMILESCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1
InChIInChI=1S/C16H13N3O3/c1-22-13-5-6-14-15(7-8-17-16(14)10-13)18-11-3-2-4-12(9-11)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeyHNLIUWZADQAOQP-UHFFFAOYSA-N
XLogP3.90
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine?
The IUPAC name of 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine (CID 50877915) is 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine?
The canonical SMILES for 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine is COc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1.
What is the InChIKey of 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine?
The InChIKey is HNLIUWZADQAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-5-6-14-15(7-8-17-16(14)10-13)18-11-3-2-4-12(9-11)19(20)21/h2-10H,1H3,(H,17,18).
What are the key properties of 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine?
7-methoxy-N-(3-nitrophenyl)quinolin-4-amine has a molecular weight of 295.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-nitrophenyl)quinolin-4-amine is sourced from PubChem (CID 50877915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).