N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide

C17H18BrN3O2 — CID 135838098

IUPACN-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)15(23)21-16-19-12-7-5-9-4-6-10(18)8-11(9)13(12)14(22)20-16/h4,6,8H,5,7H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyGKEDHPLWSRCPRY-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.28
Rot. Bonds1

About N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide

N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide (PubChem CID 135838098) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide
PubChem CID135838098
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2
InChIInChI=1S/C17H18BrN3O2/c1-17(2,3)15(23)21-16-19-12-7-5-9-4-6-10(18)8-11(9)13(12)14(22)20-16/h4,6,8H,5,7H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyGKEDHPLWSRCPRY-UHFFFAOYSA-N
XLogP3.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135577900
3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838183
2,2-dimethyl-N-(10-oxo-4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7,12-tetraen-12-yl)propanamide
CID 135603652
2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide
CID 11228555
3-amino-9-chloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838124
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
N-(6-ethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 154297432
N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135948826
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide
CID 135911874
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508

Frequently Asked Questions

What is the IUPAC name of N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide (CID 135838098) is N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2.
What is the InChIKey of N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is GKEDHPLWSRCPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-17(2,3)15(23)21-16-19-12-7-5-9-4-6-10(18)8-11(9)13(12)14(22)20-16/h4,6,8H,5,7H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide?
N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 376.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromo-1-oxo-5,6-dihydro-2H-benzo[f]quinazolin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 135838098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).