1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea

C19H18ClN3O2 — CID 112975973

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-16-8-6-14(7-9-16)13-23-19(24)22-11-12-25-17-5-1-3-15-4-2-10-21-18(15)17/h1-10H,11-13H2,(H2,22,23,24)
InChIKeyLTWFILKPCUFGKZ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.77
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea

1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975973) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975973
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-16-8-6-14(7-9-16)13-23-19(24)22-11-12-25-17-5-1-3-15-4-2-10-21-18(15)17/h1-10H,11-13H2,(H2,22,23,24)
InChIKeyLTWFILKPCUFGKZ-UHFFFAOYSA-N
XLogP3.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea (CID 112975973) is 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea is O=C(NCCOc1cccc2cccnc12)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is LTWFILKPCUFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-16-8-6-14(7-9-16)13-23-19(24)22-11-12-25-17-5-1-3-15-4-2-10-21-18(15)17/h1-10H,11-13H2,(H2,22,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 355.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).