12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one

C20H15BrN2O — CID 164913516

IUPAC12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2cc(Br)ccc2nc2c3c(c4c(n12)C=CCC4)CCC=C3
InChIInChI=1S/C20H15BrN2O/c21-12-9-10-17-16(11-12)20(24)23-18-8-4-3-6-14(18)13-5-1-2-7-15(13)19(23)22-17/h2,4,7-11H,1,3,5-6H2
InChIKeyMWDCAKSCZJCALR-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.53
Rot. Bonds

About 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one

12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one (PubChem CID 164913516) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one.

Molecular Properties

Compound Name12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one
PubChem CID164913516
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2cc(Br)ccc2nc2c3c(c4c(n12)C=CCC4)CCC=C3
InChIInChI=1S/C20H15BrN2O/c21-12-9-10-17-16(11-12)20(24)23-18-8-4-3-6-14(18)13-5-1-2-7-15(13)19(23)22-17/h2,4,7-11H,1,3,5-6H2
InChIKeyMWDCAKSCZJCALR-UHFFFAOYSA-N
XLogP4.53
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-bromo-6-(4-methylphenyl)quinazolino[4,3-b]quinazolin-8-one
CID 164913475
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 11729101
2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
CID 67981761
7,14,29,36-tetrazatetradecacyclo[21.21.2.22,5.224,27.03,19.04,16.06,14.08,13.020,45.025,41.026,38.029,37.030,35.042,46]pentaconta-1(45),2,4,6,8,10,12,16,18,20,22,24(48),25(41),26(38),27(47),30(35),31,36,39,42(46),43,49-docosaene-15,28-dione
CID 130342397
10-bromo-4-chloro-6-isocyanoquinolino[2,1-b]quinazolin-12-one
CID 171606273
6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
CID 156783706
(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 13046590
(2E)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 11234509
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
CID 4576960
5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one
CID 148956625

Frequently Asked Questions

What is the IUPAC name of 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one?
The IUPAC name of 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one (CID 164913516) is 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one.
What is the SMILES notation for 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one?
The canonical SMILES for 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one is O=c1c2cc(Br)ccc2nc2c3c(c4c(n12)C=CCC4)CCC=C3.
What is the InChIKey of 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one?
The InChIKey is MWDCAKSCZJCALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c21-12-9-10-17-16(11-12)20(24)23-18-8-4-3-6-14(18)13-5-1-2-7-15(13)19(23)22-17/h2,4,7-11H,1,3,5-6H2.
What are the key properties of 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one?
12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one has a molecular weight of 379.26 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-3,4,5,6-tetrahydroquinazolino[3,2-f]phenanthridin-14-one is sourced from PubChem (CID 164913516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).