1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea

C23H24N4O2 — CID 3285527

IUPAC1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCC1
InChIInChI=1S/C23H24N4O2/c28-22(26-27-23(29)24-17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)25-20-14-8-7-13-18(19)20/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2,(H,26,28)(H2,24,27,29)
InChIKeyPTARHEQAXYMPHR-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.18
Rot. Bonds3

About 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea

1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea (PubChem CID 3285527) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
PubChem CID3285527
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCC1
InChIInChI=1S/C23H24N4O2/c28-22(26-27-23(29)24-17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)25-20-14-8-7-13-18(19)20/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2,(H,26,28)(H2,24,27,29)
InChIKeyPTARHEQAXYMPHR-UHFFFAOYSA-N
XLogP4.18
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 5076844
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 154840806
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea (CID 3285527) is 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
The InChIKey is PTARHEQAXYMPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(26-27-23(29)24-17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)25-20-14-8-7-13-18(19)20/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2,(H,26,28)(H2,24,27,29).
What are the key properties of 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea?
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea has a molecular weight of 388.47 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea is sourced from PubChem (CID 3285527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).