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

C25H17N5O2 — CID 123199900

IUPAC2-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
InChIInChI=1S/C25H17N5O2/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/h2-12,14H,13H2,1H3
InChIKeyQTTZZTGGVALJBU-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-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 123199900) has the molecular formula C25H17N5O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
PubChem CID123199900
Molecular FormulaC25H17N5O2
Molecular Weight419.44 g/mol
Exact Mass419.14
IUPAC Name2-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
InChIInChI=1S/C25H17N5O2/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/h2-12,14H,13H2,1H3
InChIKeyQTTZZTGGVALJBU-UHFFFAOYSA-N
XLogP3.55
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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-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
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
[4-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 86273447
6-[(4-phenyltriazol-1-yl)methyl]-1H-3,1-benzoxazine-2,4-dione
CID 123637083
2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
CID 169263878
(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
CID 67774120
ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen
CID 169263796
6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde
CID 166441954
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
CID 86003970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione (CID 123199900) is 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 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.
What is the InChIKey of 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is QTTZZTGGVALJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2/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/h2-12,14H,13H2,1H3.
What are the key properties of 2-methyl-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 419.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 123199900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).