6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C26H30N6O2 — CID 3195802

IUPAC6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C26H30N6O2/c1-18-7-6-13-31(17-18)24(22-16-20-15-21(34-2)10-11-23(20)27-26(22)33)25-28-29-30-32(25)14-12-19-8-4-3-5-9-19/h3-5,8-11,15-16,18,24H,6-7,12-14,17H2,1-2H3,(H,27,33)
InChIKeyGWYMKRGRGGAAKF-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.59
Rot. Bonds7

About 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 3195802) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID3195802
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C26H30N6O2/c1-18-7-6-13-31(17-18)24(22-16-20-15-21(34-2)10-11-23(20)27-26(22)33)25-28-29-30-32(25)14-12-19-8-4-3-5-9-19/h3-5,8-11,15-16,18,24H,6-7,12-14,17H2,1-2H3,(H,27,33)
InChIKeyGWYMKRGRGGAAKF-UHFFFAOYSA-N
XLogP3.59
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

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)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1471059
7-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183663
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 25454100
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159666
ethyl 1-[(S)-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 25411198
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159678
7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 25303365
3-[[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195696
6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 3182585
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1158819
3-[[1-(cyclohexylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 146160669

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 3195802) is 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCCC(C)C3)cc2c1.
What is the InChIKey of 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is GWYMKRGRGGAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18-7-6-13-31(17-18)24(22-16-20-15-21(34-2)10-11-23(20)27-26(22)33)25-28-29-30-32(25)14-12-19-8-4-3-5-9-19/h3-5,8-11,15-16,18,24H,6-7,12-14,17H2,1-2H3,(H,27,33).
What are the key properties of 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).