1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea

C18H20N4O3 — CID 146403591

IUPAC1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea
SMILESCC1(C)CCNc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21
InChIInChI=1S/C18H20N4O3/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(23)20-12-3-6-14(7-4-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,23)
InChIKeyYCKCCGFFWOWSIU-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.33
Rot. Bonds3

About 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea

1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea (PubChem CID 146403591) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea
PubChem CID146403591
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea
SMILESCC1(C)CCNc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21
InChIInChI=1S/C18H20N4O3/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(23)20-12-3-6-14(7-4-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,23)
InChIKeyYCKCCGFFWOWSIU-UHFFFAOYSA-N
XLogP4.33
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.33
H-Bond Donors ≤ 53
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'}

Analyze 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea 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

1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanoic acid
CID 61263044
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]acridin-3-yl]urea
CID 22503858
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-nitrophenyl)urea
CID 104620513
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(4-nitrophenyl)urea
CID 103916786
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
1-(4-nitrophenyl)-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685398
1-[7-tert-butyl-3-[(4-nitrophenyl)carbamoylamino]pyren-1-yl]-3-(4-nitrophenyl)urea
CID 177404127

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea (CID 146403591) is 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea is CC1(C)CCNc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea?
The InChIKey is YCKCCGFFWOWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2)9-10-19-16-8-5-13(11-15(16)18)21-17(23)20-12-3-6-14(7-4-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea?
1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea has a molecular weight of 340.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 146403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).