3-bromoquinazolino[3,2-f]phenanthridin-14-one

C20H11BrN2O — CID 164913573

IUPAC3-bromoquinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2ccccc2nc2c3ccccc3c3cc(Br)ccc3n12
InChIInChI=1S/C20H11BrN2O/c21-12-9-10-18-16(11-12)13-5-1-2-6-14(13)19-22-17-8-4-3-7-15(17)20(24)23(18)19/h1-11H
InChIKeyOLBKLTUSODDWKZ-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.92
Rot. Bonds

About 3-bromoquinazolino[3,2-f]phenanthridin-14-one

3-bromoquinazolino[3,2-f]phenanthridin-14-one (PubChem CID 164913573) has the molecular formula C20H11BrN2O and a molecular weight of 375.23 g/mol. Its IUPAC name is 3-bromoquinazolino[3,2-f]phenanthridin-14-one.

Molecular Properties

Compound Name3-bromoquinazolino[3,2-f]phenanthridin-14-one
PubChem CID164913573
Molecular FormulaC20H11BrN2O
Molecular Weight375.23 g/mol
Exact Mass374.01
IUPAC Name3-bromoquinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2ccccc2nc2c3ccccc3c3cc(Br)ccc3n12
InChIInChI=1S/C20H11BrN2O/c21-12-9-10-18-16(11-12)13-5-1-2-6-14(13)19-22-17-8-4-3-7-15(17)20(24)23(18)19/h1-11H
InChIKeyOLBKLTUSODDWKZ-UHFFFAOYSA-N
XLogP4.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
10-bromo-6-(4-methylphenyl)quinazolino[4,3-b]quinazolin-8-one
CID 164913475
21-bromo-3,10,17-triazaheptacyclo[15.10.1.02,10.04,9.011,16.018,23.024,28]octacosa-1(27),2,4,6,8,11,13,15,18(23),19,21,24(28),25-tridecaene
CID 146722032
11-bromo-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 90432258
4-bromo-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene
CID 122427027
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
10-bromo-4-chloro-6-isocyanoquinolino[2,1-b]quinazolin-12-one
CID 171606273
10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 11729101
10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)naphthalen-1-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58281870
21,40-dibromo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,17,20,22,24,26,28,30,34(38),35-octadecaene-15,33-dione
CID 25007098

Frequently Asked Questions

What is the IUPAC name of 3-bromoquinazolino[3,2-f]phenanthridin-14-one?
The IUPAC name of 3-bromoquinazolino[3,2-f]phenanthridin-14-one (CID 164913573) is 3-bromoquinazolino[3,2-f]phenanthridin-14-one.
What is the SMILES notation for 3-bromoquinazolino[3,2-f]phenanthridin-14-one?
The canonical SMILES for 3-bromoquinazolino[3,2-f]phenanthridin-14-one is O=c1c2ccccc2nc2c3ccccc3c3cc(Br)ccc3n12.
What is the InChIKey of 3-bromoquinazolino[3,2-f]phenanthridin-14-one?
The InChIKey is OLBKLTUSODDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O/c21-12-9-10-18-16(11-12)13-5-1-2-6-14(13)19-22-17-8-4-3-7-15(17)20(24)23(18)19/h1-11H.
What are the key properties of 3-bromoquinazolino[3,2-f]phenanthridin-14-one?
3-bromoquinazolino[3,2-f]phenanthridin-14-one has a molecular weight of 375.23 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinazolino[3,2-f]phenanthridin-14-one is sourced from PubChem (CID 164913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).