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

C24H26N4O3 — CID 5076844

IUPAC1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
SMILESCOc1cccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H26N4O3/c1-31-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)26-22)23(29)27-28-24(30)25-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,27,29)(H2,25,28,30)
InChIKeyKPEGJQXFLAGMND-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.19
Rot. Bonds4

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

1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea (PubChem CID 5076844) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
PubChem CID5076844
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
SMILESCOc1cccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H26N4O3/c1-31-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)26-22)23(29)27-28-24(30)25-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,27,29)(H2,25,28,30)
InChIKeyKPEGJQXFLAGMND-UHFFFAOYSA-N
XLogP4.19
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4061501
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5179044
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The IUPAC name of 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea (CID 5076844) is 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea is COc1cccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The InChIKey is KPEGJQXFLAGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-31-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)26-22)23(29)27-28-24(30)25-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,27,29)(H2,25,28,30).
What are the key properties of 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea has a molecular weight of 418.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea is sourced from PubChem (CID 5076844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).