3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

C20H19BrN2O2 — CID 20896798

IUPAC3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-6-5-7-16(21)10-14)12-15-11-19(24)22-18-9-4-3-8-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyQOKGRSXXVVNLEA-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.34
Rot. Bonds4

About 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 20896798) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID20896798
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-6-5-7-16(21)10-14)12-15-11-19(24)22-18-9-4-3-8-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyQOKGRSXXVVNLEA-UHFFFAOYSA-N
XLogP4.34
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896805
3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896802
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
CID 50749328
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
3-bromo-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4104063
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-propan-2-ylbenzamide
CID 54997849
N-(4-methoxyphenyl)-4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 2031864
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (CID 20896798) is 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is QOKGRSXXVVNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-6-5-7-16(21)10-14)12-15-11-19(24)22-18-9-4-3-8-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 399.29 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 20896798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).