1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea

C18H25N3O2 — CID 56789348

IUPAC1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea
SMILESCCCCNC(=O)Nc1cccc2c1CCCN2C(=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-2-3-11-19-18(23)20-15-7-4-8-16-14(15)6-5-12-21(16)17(22)13-9-10-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyLSKXBNZFKUCJTJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.30
Rot. Bonds5

About 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea

1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea (PubChem CID 56789348) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea
PubChem CID56789348
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea
SMILESCCCCNC(=O)Nc1cccc2c1CCCN2C(=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-2-3-11-19-18(23)20-15-7-4-8-16-14(15)6-5-12-21(16)17(22)13-9-10-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyLSKXBNZFKUCJTJ-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 47060027
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
CID 110303954

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea?
The IUPAC name of 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea (CID 56789348) is 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea.
What is the SMILES notation for 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea?
The canonical SMILES for 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea is CCCCNC(=O)Nc1cccc2c1CCCN2C(=O)C1CC1.
What is the InChIKey of 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea?
The InChIKey is LSKXBNZFKUCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-11-19-18(23)20-15-7-4-8-16-14(15)6-5-12-21(16)17(22)13-9-10-13/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea?
1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea has a molecular weight of 315.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea is sourced from PubChem (CID 56789348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).