6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde

C15H21N3O3 — CID 10424379

IUPAC6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCN(CC)c1cc2c(cc1[N+](=O)[O-])N(C=O)C(C)CC2
InChIInChI=1S/C15H21N3O3/c1-4-16(5-2)14-8-12-7-6-11(3)17(10-19)13(12)9-15(14)18(20)21/h8-11H,4-7H2,1-3H3
InChIKeyUUIDXPHBKQWRQO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.74
Rot. Bonds5

About 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde

6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 10424379) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID10424379
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCN(CC)c1cc2c(cc1[N+](=O)[O-])N(C=O)C(C)CC2
InChIInChI=1S/C15H21N3O3/c1-4-16(5-2)14-8-12-7-6-11(3)17(10-19)13(12)9-15(14)18(20)21/h8-11H,4-7H2,1-3H3
InChIKeyUUIDXPHBKQWRQO-UHFFFAOYSA-N
XLogP2.74
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 10424379) is 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde is CCN(CC)c1cc2c(cc1[N+](=O)[O-])N(C=O)C(C)CC2.
What is the InChIKey of 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is UUIDXPHBKQWRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-16(5-2)14-8-12-7-6-11(3)17(10-19)13(12)9-15(14)18(20)21/h8-11H,4-7H2,1-3H3.
What are the key properties of 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-methyl-7-nitro-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 10424379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).