6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one

C25H25N7O — CID 135908184

IUPAC6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCn1nnc(-c2ccc3[nH]c(=O)c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)cc3c2)n1
InChIInChI=1S/C25H25N7O/c1-31-29-24(28-30-31)17-6-8-22-19(12-17)13-20(25(33)27-22)23-14-18-11-16(5-7-21(18)26-23)15-32-9-3-2-4-10-32/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,33)
InChIKeyKQSPGFVWHKWOOD-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.85
Rot. Bonds4

About 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one

6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 135908184) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID135908184
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCn1nnc(-c2ccc3[nH]c(=O)c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)cc3c2)n1
InChIInChI=1S/C25H25N7O/c1-31-29-24(28-30-31)17-6-8-22-19(12-17)13-20(25(33)27-22)23-14-18-11-16(5-7-21(18)26-23)15-32-9-3-2-4-10-32/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,33)
InChIKeyKQSPGFVWHKWOOD-UHFFFAOYSA-N
XLogP3.85
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10163766
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
CID 69293865
5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
5-(1-hydroxypropan-2-ylamino)-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68808786

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one (CID 135908184) is 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one is Cn1nnc(-c2ccc3[nH]c(=O)c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)cc3c2)n1.
What is the InChIKey of 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is KQSPGFVWHKWOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-31-29-24(28-30-31)17-6-8-22-19(12-17)13-20(25(33)27-22)23-14-18-11-16(5-7-21(18)26-23)15-32-9-3-2-4-10-32/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,33).
What are the key properties of 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one?
6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 439.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).