1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea

C22H27N3O2 — CID 170748563

IUPAC1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
SMILESCC1Cc2cc(NC(=O)NC(C)(C)C)ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c1-15-12-17-13-18(23-21(27)24-22(2,3)4)10-11-19(17)25(20(15)26)14-16-8-6-5-7-9-16/h5-11,13,15H,12,14H2,1-4H3,(H2,23,24,27)
InChIKeyQVXWWPXVXOSQPY-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.33
Rot. Bonds3

About 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea

1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea (PubChem CID 170748563) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
PubChem CID170748563
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
SMILESCC1Cc2cc(NC(=O)NC(C)(C)C)ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c1-15-12-17-13-18(23-21(27)24-22(2,3)4)10-11-19(17)25(20(15)26)14-16-8-6-5-7-9-16/h5-11,13,15H,12,14H2,1-4H3,(H2,23,24,27)
InChIKeyQVXWWPXVXOSQPY-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea with MolForge

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Related Compounds

1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea
CID 170748426
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
1-tert-butyl-3-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinolin-6-yl]urea
CID 170748606
1-tert-butyl-3-[3-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinazolin-6-yl]urea
CID 170748779
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
CID 170748322
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea?
The IUPAC name of 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea (CID 170748563) is 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea?
The canonical SMILES for 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea is CC1Cc2cc(NC(=O)NC(C)(C)C)ccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea?
The InChIKey is QVXWWPXVXOSQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-12-17-13-18(23-21(27)24-22(2,3)4)10-11-19(17)25(20(15)26)14-16-8-6-5-7-9-16/h5-11,13,15H,12,14H2,1-4H3,(H2,23,24,27).
What are the key properties of 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea?
1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea has a molecular weight of 365.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea is sourced from PubChem (CID 170748563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).