3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one

C19H14BrN3O — CID 135838187

IUPAC3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2ccc3c(Br)cccc3c12
InChIInChI=1S/C19H14BrN3O/c20-15-8-4-7-14-13(15)9-10-16-17(14)18(24)23-19(22-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyJFDKEPQCKTUVRK-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.45
Rot. Bonds3

About 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one

3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one (PubChem CID 135838187) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one
PubChem CID135838187
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2ccc3c(Br)cccc3c12
InChIInChI=1S/C19H14BrN3O/c20-15-8-4-7-14-13(15)9-10-16-17(14)18(24)23-19(22-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyJFDKEPQCKTUVRK-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-Amino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135422913
3,10-diamino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135838125
9-bromo-3-methylbenzo[f]quinazolin-1(2H)-one
CID 135838155
N-(9-bromo-1-oxo-2H-benzo[f]quinazolin-3-yl)formamide
CID 135838161
3,8-diamino-9-bromo-2H-benzo[f]quinazolin-1-one
CID 135838244
3-Aminobenzo[f]quinazolin-1-ol
CID 135527705
3-(benzylamino)-7-fluoro-2H-benzo[f]quinazolin-1-one
CID 136171350
2-aminodibenzo[f,h]quinazolin-4-(3H)-one
CID 135838174
3-amino-7-bromo-2H-benzo[f]quinazolin-1-one
CID 135838223
2-(Benzylamino)-6-bromoquinazolin-4(3H)-one
CID 135497211
3,7-diamino-8-bromo-2H-benzo[f]quinazolin-1-one
CID 135838142
3-amino-8-bromo-2H-benzo[f]quinazolin-1-one
CID 135838177

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one (CID 135838187) is 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one is O=c1[nH]c(NCc2ccccc2)nc2ccc3c(Br)cccc3c12.
What is the InChIKey of 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one?
The InChIKey is JFDKEPQCKTUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c20-15-8-4-7-14-13(15)9-10-16-17(14)18(24)23-19(22-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,21,22,23,24).
What are the key properties of 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one?
3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one has a molecular weight of 380.25 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-7-bromo-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).