1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea

C23H29N3O2 — CID 52724176

IUPAC1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c1
InChIInChI=1S/C23H29N3O2/c1-15(2)17-10-11-21-18(13-17)8-6-12-26(21)22(27)19-7-5-9-20(14-19)25-23(28)24-16(3)4/h5,7,9-11,13-16H,6,8,12H2,1-4H3,(H2,24,25,28)
InChIKeyOSVWELMZLNKTSX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.93
Rot. Bonds4

About 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea

1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea (PubChem CID 52724176) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
PubChem CID52724176
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c1
InChIInChI=1S/C23H29N3O2/c1-15(2)17-10-11-21-18(13-17)8-6-12-26(21)22(27)19-7-5-9-20(14-19)25-23(28)24-16(3)4/h5,7,9-11,13-16H,6,8,12H2,1-4H3,(H2,24,25,28)
InChIKeyOSVWELMZLNKTSX-UHFFFAOYSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea with MolForge

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Related Compounds

N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
CID 142580338
3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55674090
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132664986
(1-benzoylpyrrolidin-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112822377
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55670463
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea (CID 52724176) is 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea is CC(C)NC(=O)Nc1cccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c1.
What is the InChIKey of 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea?
The InChIKey is OSVWELMZLNKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15(2)17-10-11-21-18(13-17)8-6-12-26(21)22(27)19-7-5-9-20(14-19)25-23(28)24-16(3)4/h5,7,9-11,13-16H,6,8,12H2,1-4H3,(H2,24,25,28).
What are the key properties of 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea?
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea has a molecular weight of 379.50 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea is sourced from PubChem (CID 52724176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).