1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea

C26H23ClN4O2 — CID 22305855

IUPAC1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea
SMILESCC(C)c1ccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23ClN4O2/c1-16(2)17-10-12-18(13-11-17)24-15-22(21-8-3-4-9-23(21)29-24)25(32)30-31(26(28)33)20-7-5-6-19(27)14-20/h3-16H,1-2H3,(H2,28,33)(H,30,32)
InChIKeyMNYDHIOGHGEJCZ-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.91
Rot. Bonds4

About 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea

1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea (PubChem CID 22305855) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea
PubChem CID22305855
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea
SMILESCC(C)c1ccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23ClN4O2/c1-16(2)17-10-12-18(13-11-17)24-15-22(21-8-3-4-9-23(21)29-24)25(32)30-31(26(28)33)20-7-5-6-19(27)14-20/h3-16H,1-2H3,(H2,28,33)(H,30,32)
InChIKeyMNYDHIOGHGEJCZ-UHFFFAOYSA-N
XLogP5.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.91
H-Bond Donors ≤ 52
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-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-1-(3-chlorophenyl)urea
CID 22305853
1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 22305850
1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea
CID 22305706
1-(3-methylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148811
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
1-(4-bromophenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148817
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea (CID 22305855) is 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea is CC(C)c1ccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea?
The InChIKey is MNYDHIOGHGEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c1-16(2)17-10-12-18(13-11-17)24-15-22(21-8-3-4-9-23(21)29-24)25(32)30-31(26(28)33)20-7-5-6-19(27)14-20/h3-16H,1-2H3,(H2,28,33)(H,30,32).
What are the key properties of 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea?
1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea has a molecular weight of 458.95 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea is sourced from PubChem (CID 22305855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).