N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine

C18H15N3O3 — CID 132159987

IUPACN-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine
SMILESC=CCOC1=CC2=NC=CC(=C2C=C1)NC3=CC(=CC=C3)[N+](=O)[O-]
InChIInChI=1S/C18H15N3O3/c1-2-10-24-15-6-7-16-17(8-9-19-18(16)12-15)20-13-4-3-5-14(11-13)21(22)23/h2-9,11-12H,1,10H2,(H,19,20)
InChIKeyHMIGGQHCDZPBNT-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.20
Rot. Bonds5

About N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine

N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine (PubChem CID 132159987) has the molecular formula C18H15N3O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine
PubChem CID132159987
Molecular FormulaC18H15N3O3
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC NameN-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine
SMILESC=CCOC1=CC2=NC=CC(=C2C=C1)NC3=CC(=CC=C3)[N+](=O)[O-]
InChIInChI=1S/C18H15N3O3/c1-2-10-24-15-6-7-16-17(8-9-19-18(16)12-15)20-13-4-3-5-14(11-13)21(22)23/h2-9,11-12H,1,10H2,(H,19,20)
InChIKeyHMIGGQHCDZPBNT-UHFFFAOYSA-N
XLogP4.20
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity440

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
7-Benzyloxyquinoline
CID 3035604
6,7-Dimethoxy-4-[(3-nitrophenyl)amino]quinoline-3-carbonitrile
CID 5328850
8-[(4-Nitrophenyl)methoxy]quinoline
CID 372051
7-Methoxyquinoline
CID 78666
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
6,7-Dimethoxy-4-(3-nitrophenoxy)quinoline
CID 22132767
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
1-(7-(111C)methoxyquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 168275719
4-(4-Phenoxybutoxy)quinoline
CID 42631043

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine?
The IUPAC name of N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine (CID 132159987) is N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine.
What is the SMILES notation for N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine?
The canonical SMILES for N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine is C=CCOC1=CC2=NC=CC(=C2C=C1)NC3=CC(=CC=C3)[N+](=O)[O-].
What is the InChIKey of N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine?
The InChIKey is HMIGGQHCDZPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-10-24-15-6-7-16-17(8-9-19-18(16)12-15)20-13-4-3-5-14(11-13)21(22)23/h2-9,11-12H,1,10H2,(H,19,20).
What are the key properties of N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine?
N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine has a molecular weight of 321.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-7-prop-2-enoxyquinolin-4-amine is sourced from PubChem (CID 132159987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).