3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one

C24H33N7O2 — CID 146160669

IUPAC3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCCC3)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C24H33N7O2/c1-29-10-12-30(13-11-29)22(23-26-27-28-31(23)16-17-6-4-3-5-7-17)20-15-18-14-19(33-2)8-9-21(18)25-24(20)32/h8-9,14-15,17,22H,3-7,10-13,16H2,1-2H3,(H,25,32)
InChIKeyLCJVTTCEVKDTPF-UHFFFAOYSA-N
MW451.58 g/mol
LogP2.44
Rot. Bonds6

About 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one

3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 146160669) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID146160669
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCCC3)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C24H33N7O2/c1-29-10-12-30(13-11-29)22(23-26-27-28-31(23)16-17-6-4-3-5-7-17)20-15-18-14-19(33-2)8-9-21(18)25-24(20)32/h8-9,14-15,17,22H,3-7,10-13,16H2,1-2H3,(H,25,32)
InChIKeyLCJVTTCEVKDTPF-UHFFFAOYSA-N
XLogP2.44
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-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

6-methoxy-3-[(R)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1147983
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159678
6-methoxy-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 3150361
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159666
3-[(R)-(4-cyclohexylpiperazin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 28503422
6-methoxy-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1147993
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1147844
3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1148073
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methoxy-1H-quinolin-2-one
CID 3183228
6-ethoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 7273018
6-methoxy-3-[(R)-[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 98100892
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1159401

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one (CID 146160669) is 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCCC3)N3CCN(C)CC3)cc2c1.
What is the InChIKey of 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is LCJVTTCEVKDTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-29-10-12-30(13-11-29)22(23-26-27-28-31(23)16-17-6-4-3-5-7-17)20-15-18-14-19(33-2)8-9-21(18)25-24(20)32/h8-9,14-15,17,22H,3-7,10-13,16H2,1-2H3,(H,25,32).
What are the key properties of 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one?
3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 451.58 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 146160669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).