1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea

C28H24N4O2 — CID 154840806

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1C2CCc3ccccc3C21
InChIInChI=1S/C28H24N4O2/c33-27(22-16-24(18-9-2-1-3-10-18)29-23-13-7-6-12-20(22)23)31-32-28(34)30-26-21-15-14-17-8-4-5-11-19(17)25(21)26/h1-13,16,21,25-26H,14-15H2,(H,31,33)(H2,30,32,34)
InChIKeySLVQCBOZYLTPOL-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.57
Rot. Bonds3

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea (PubChem CID 154840806) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
PubChem CID154840806
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1C2CCc3ccccc3C21
InChIInChI=1S/C28H24N4O2/c33-27(22-16-24(18-9-2-1-3-10-18)29-23-13-7-6-12-20(22)23)31-32-28(34)30-26-21-15-14-17-8-4-5-11-19(17)25(21)26/h1-13,16,21,25-26H,14-15H2,(H,31,33)(H2,30,32,34)
InChIKeySLVQCBOZYLTPOL-UHFFFAOYSA-N
XLogP4.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]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-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 5076844
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide
CID 23474473
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 1354577
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide
CID 55508001
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea (CID 154840806) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The InChIKey is SLVQCBOZYLTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-27(22-16-24(18-9-2-1-3-10-18)29-23-13-7-6-12-20(22)23)31-32-28(34)30-26-21-15-14-17-8-4-5-11-19(17)25(21)26/h1-13,16,21,25-26H,14-15H2,(H,31,33)(H2,30,32,34).
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea has a molecular weight of 448.53 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea is sourced from PubChem (CID 154840806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).