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

C24H19ClN4O3 — CID 22305850

IUPAC1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
SMILESCOc1cccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)c1
InChIInChI=1S/C24H19ClN4O3/c1-32-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)27-22)23(30)28-29(24(26)31)17-8-5-7-16(25)13-17/h2-14H,1H3,(H2,26,31)(H,28,30)
InChIKeyNBFYXNXPYPQVEK-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.79
Rot. Bonds4

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

1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea (PubChem CID 22305850) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
PubChem CID22305850
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
SMILESCOc1cccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)c1
InChIInChI=1S/C24H19ClN4O3/c1-32-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)27-22)23(30)28-29(24(26)31)17-8-5-7-16(25)13-17/h2-14H,1H3,(H2,26,31)(H,28,30)
InChIKeyNBFYXNXPYPQVEK-UHFFFAOYSA-N
XLogP4.79
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-1-(3-chlorophenyl)urea
CID 22305853
1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea
CID 22305855
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-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4061501
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5179044
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea (CID 22305850) is 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea is COc1cccc(-c2cc(C(=O)NN(C(N)=O)c3cccc(Cl)c3)c3ccccc3n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
The InChIKey is NBFYXNXPYPQVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-32-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)27-22)23(30)28-29(24(26)31)17-8-5-7-16(25)13-17/h2-14H,1H3,(H2,26,31)(H,28,30).
What are the key properties of 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea?
1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea has a molecular weight of 446.89 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea is sourced from PubChem (CID 22305850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).