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

C21H11Br2N3O — CID 10961859

IUPAC8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Br)cc(Br)c2nc2c(-c3ccccc3)cc3cccnc3n12
InChIInChI=1S/C21H11Br2N3O/c22-14-10-16-18(17(23)11-14)25-20-15(12-5-2-1-3-6-12)9-13-7-4-8-24-19(13)26(20)21(16)27/h1-11H
InChIKeyYZUGHWQXOUKIEH-UHFFFAOYSA-N
MW481.15 g/mol
LogP5.59
Rot. Bonds1

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

8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one (PubChem CID 10961859) has the molecular formula C21H11Br2N3O and a molecular weight of 481.15 g/mol. Its IUPAC name is 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
PubChem CID10961859
Molecular FormulaC21H11Br2N3O
Molecular Weight481.15 g/mol
Exact Mass478.93
IUPAC Name8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
SMILESO=c1c2cc(Br)cc(Br)c2nc2c(-c3ccccc3)cc3cccnc3n12
InChIInChI=1S/C21H11Br2N3O/c22-14-10-16-18(17(23)11-14)25-20-15(12-5-2-1-3-6-12)9-13-7-4-8-24-19(13)26(20)21(16)27/h1-11H
InChIKeyYZUGHWQXOUKIEH-UHFFFAOYSA-N
XLogP5.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.15
LogP ≤ 55.59
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'}

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Related Compounds

10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 11729101
14,16-dibromo-5-(4-chlorophenyl)-3-phenyl-6,8,10,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 46227275
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-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium
CID 132533186
16,18-dibromo-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 162470923
3,5-diphenyl-6,8-diazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 139436104
2-(4-bromophenyl)-4-phenyl-1,8-naphthyridine
CID 118491241
8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 101374170
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
5,8-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 71113635
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784

Frequently Asked Questions

What is the IUPAC name of 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The IUPAC name of 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one (CID 10961859) is 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The canonical SMILES for 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one is O=c1c2cc(Br)cc(Br)c2nc2c(-c3ccccc3)cc3cccnc3n12.
What is the InChIKey of 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
The InChIKey is YZUGHWQXOUKIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Br2N3O/c22-14-10-16-18(17(23)11-14)25-20-15(12-5-2-1-3-6-12)9-13-7-4-8-24-19(13)26(20)21(16)27/h1-11H.
What are the key properties of 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one?
8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one has a molecular weight of 481.15 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 10961859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).