1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea

C23H29N3O2 — CID 170748322

IUPAC1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
SMILESCCC(c1ccccc1)N1C(=O)CCc2cc(NC(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-19(16-9-7-6-8-10-16)26-20-13-12-18(15-17(20)11-14-21(26)27)24-22(28)25-23(2,3)4/h6-10,12-13,15,19H,5,11,14H2,1-4H3,(H2,24,25,28)
InChIKeyKFLLTEXJAZNXNH-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.04
Rot. Bonds4

About 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea

1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea (PubChem CID 170748322) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
PubChem CID170748322
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
SMILESCCC(c1ccccc1)N1C(=O)CCc2cc(NC(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-19(16-9-7-6-8-10-16)26-20-13-12-18(15-17(20)11-14-21(26)27)24-22(28)25-23(2,3)4/h6-10,12-13,15,19H,5,11,14H2,1-4H3,(H2,24,25,28)
InChIKeyKFLLTEXJAZNXNH-UHFFFAOYSA-N
XLogP5.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea with MolForge

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Related Compounds

1-tert-butyl-3-[1-[1-(3-chlorophenyl)ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 170748090
1-tert-butyl-3-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinolin-6-yl]urea
CID 170748606
6-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one
CID 170748239
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135144208
1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea
CID 170748426
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
CID 54242778
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
CID 170748563
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea?
The IUPAC name of 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea (CID 170748322) is 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea is CCC(c1ccccc1)N1C(=O)CCc2cc(NC(=O)NC(C)(C)C)ccc21.
What is the InChIKey of 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea?
The InChIKey is KFLLTEXJAZNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-19(16-9-7-6-8-10-16)26-20-13-12-18(15-17(20)11-14-21(26)27)24-22(28)25-23(2,3)4/h6-10,12-13,15,19H,5,11,14H2,1-4H3,(H2,24,25,28).
What are the key properties of 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea?
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea has a molecular weight of 379.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea is sourced from PubChem (CID 170748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).