10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one

C21H12BrN3O — CID 11729101

IUPAC10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Br)ccc2nc2c(-c3ccccc3)cc3cccnc3n12
InChIInChI=1S/C21H12BrN3O/c22-15-8-9-18-17(12-15)21(26)25-19-14(7-4-10-23-19)11-16(20(25)24-18)13-5-2-1-3-6-13/h1-12H
InChIKeyBEKZITGLZYNYSE-UHFFFAOYSA-N
MW402.25 g/mol
LogP4.83
Rot. Bonds1

About 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one

10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one (PubChem CID 11729101) has the molecular formula C21H12BrN3O and a molecular weight of 402.25 g/mol. Its IUPAC name is 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
PubChem CID11729101
Molecular FormulaC21H12BrN3O
Molecular Weight402.25 g/mol
Exact Mass401.02
IUPAC Name10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Br)ccc2nc2c(-c3ccccc3)cc3cccnc3n12
InChIInChI=1S/C21H12BrN3O/c22-15-8-9-18-17(12-15)21(26)25-19-14(7-4-10-23-19)11-16(20(25)24-18)13-5-2-1-3-6-13/h1-12H
InChIKeyBEKZITGLZYNYSE-UHFFFAOYSA-N
XLogP4.83
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 10961859
10-bromo-6-(4-methylphenyl)quinazolino[4,3-b]quinazolin-8-one
CID 164913475
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
7-chloro-14-phenyl-1,3,11,12,20-pentazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2,4(9),5,7,10,12,14,16(21),17,19-decaene
CID 10571921
6-bromo-1-methyl-3-phenylquinoxalin-2-one
CID 132610074
18-bromo-6,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 159760733
5-bromo-11-thia-1,9,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,9,12(17),13,15-heptaen-8-one
CID 171448288
9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium
CID 132533186
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
2-(4-bromophenyl)-4-phenyl-1,8-naphthyridine
CID 118491241
6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
CID 129221585
(2E)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 11234509

Frequently Asked Questions

What is the IUPAC name of 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The IUPAC name of 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one (CID 11729101) is 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The canonical SMILES for 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one is O=c1c2cc(Br)ccc2nc2c(-c3ccccc3)cc3cccnc3n12.
What is the InChIKey of 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The InChIKey is BEKZITGLZYNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrN3O/c22-15-8-9-18-17(12-15)21(26)25-19-14(7-4-10-23-19)11-16(20(25)24-18)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one has a molecular weight of 402.25 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 11729101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).