3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one

C26H30N6O2 — CID 3183143

IUPAC3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N6O2/c1-17-13-20-15-22(26(33)27-23(20)14-18(17)2)24(31-11-5-4-6-12-31)25-28-29-30-32(25)16-19-7-9-21(34-3)10-8-19/h7-10,13-15,24H,4-6,11-12,16H2,1-3H3,(H,27,33)
InChIKeyNCRVWAPSEVQSEO-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.76
Rot. Bonds6

About 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3183143) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3183143
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N6O2/c1-17-13-20-15-22(26(33)27-23(20)14-18(17)2)24(31-11-5-4-6-12-31)25-28-29-30-32(25)16-19-7-9-21(34-3)10-8-19/h7-10,13-15,24H,4-6,11-12,16H2,1-3H3,(H,27,33)
InChIKeyNCRVWAPSEVQSEO-UHFFFAOYSA-N
XLogP3.76
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1159401
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159678
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-7-methyl-1H-quinolin-2-one
CID 3182662
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159666
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methoxy-1H-quinolin-2-one
CID 3183228
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1159182
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1158184
3-[(R)-azepan-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1158218
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 3182824
3-[(R)-(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157055
3-[(1-cyclohexyltetrazol-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3176723
3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3183170

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3183143) is 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one is COc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is NCRVWAPSEVQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-13-20-15-22(26(33)27-23(20)14-18(17)2)24(31-11-5-4-6-12-31)25-28-29-30-32(25)16-19-7-9-21(34-3)10-8-19/h7-10,13-15,24H,4-6,11-12,16H2,1-3H3,(H,27,33).
What are the key properties of 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3183143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).