2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione

C73H45BrClN15O6 — CID 158789187

IUPAC2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cn2cc(-c4ccccc4)nn2)cc1C3=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Br)cc1c2=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Cl)cc1c2=O
InChIInChI=1S/C25H17N5O2.C24H14BrN5O2.C24H14ClN5O2/c1-15-7-9-20-18(11-15)25(32)30-22-10-8-16(12-19(22)23(31)24(30)26-20)13-29-14-21(27-28-29)17-5-3-2-4-6-17;2*25-16-7-8-19-17(11-16)24(32)30-21-9-6-14(10-18(21)22(31)23(30)26-19)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h2-12,14H,13H2,1H3;2*1-11,13H,12H2
InChIKeyISBCMJWDHVRPSQ-UHFFFAOYSA-N
MW1343.62 g/mol
LogP11.44
Rot. Bonds9

About 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione

2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (PubChem CID 158789187) has the molecular formula C73H45BrClN15O6 and a molecular weight of 1343.62 g/mol. Its IUPAC name is 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
PubChem CID158789187
Molecular FormulaC73H45BrClN15O6
Molecular Weight1343.62 g/mol
Exact Mass1341.25
IUPAC Name2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
SMILESCc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cn2cc(-c4ccccc4)nn2)cc1C3=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Br)cc1c2=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Cl)cc1c2=O
InChIInChI=1S/C25H17N5O2.C24H14BrN5O2.C24H14ClN5O2/c1-15-7-9-20-18(11-15)25(32)30-22-10-8-16(12-19(22)23(31)24(30)26-20)13-29-14-21(27-28-29)17-5-3-2-4-6-17;2*25-16-7-8-19-17(11-16)24(32)30-21-9-6-14(10-18(21)22(31)23(30)26-19)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h2-12,14H,13H2,1H3;2*1-11,13H,12H2
InChIKeyISBCMJWDHVRPSQ-UHFFFAOYSA-N
XLogP11.44
TPSA248.01 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.62
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione with MolForge

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Related Compounds

2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 123199900
8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
CID 86003970
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
CID 4576960
2-(2,4-dichlorophenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
CID 71733292
6-[[1-[(4-bromophenyl)methyl]triazol-4-yl]methoxy]-2-methyl-3-phenylquinazolin-4-one
CID 155557373
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
2-bromoindolo[1,2-a]benzimidazol-11-one
CID 146638668
[4-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 86273447
2-bromo-8-fluoroindolo[2,1-b]quinazoline-6,12-dione;8-fluoro-2-piperidin-1-ylindolo[2,1-b]quinazoline-6,12-dione
CID 162220321
8-bromo-1-chloro-2-[(dimethylamino)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 169263728
4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723171
3-benzyl-6-bromo-1,2,3-benzotriazin-4-one
CID 71379200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (CID 158789187) is 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cn2cc(-c4ccccc4)nn2)cc1C3=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Br)cc1c2=O.O=C1c2cc(Cn3cc(-c4ccccc4)nn3)ccc2-n2c1nc1ccc(Cl)cc1c2=O.
What is the InChIKey of 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is ISBCMJWDHVRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2.C24H14BrN5O2.C24H14ClN5O2/c1-15-7-9-20-18(11-15)25(32)30-22-10-8-16(12-19(22)23(31)24(30)26-20)13-29-14-21(27-28-29)17-5-3-2-4-6-17;2*25-16-7-8-19-17(11-16)24(32)30-21-9-6-14(10-18(21)22(31)23(30)26-19)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h2-12,14H,13H2,1H3;2*1-11,13H,12H2.
What are the key properties of 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 1343.62 g/mol, XLogP of 11.44, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-chloro-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione;2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 158789187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).