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

C23H26N6O2 — CID 3195741

IUPAC3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H26N6O2/c1-15-11-17-13-19(23(30)24-20(17)12-16(15)2)21(28-8-4-3-5-9-28)22-25-26-27-29(22)14-18-7-6-10-31-18/h6-7,10-13,21H,3-5,8-9,14H2,1-2H3,(H,24,30)
InChIKeyGQEFVBBSUDREEN-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.35
Rot. Bonds5

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

3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3195741) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3195741
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H26N6O2/c1-15-11-17-13-19(23(30)24-20(17)12-16(15)2)21(28-8-4-3-5-9-28)22-25-26-27-29(22)14-18-7-6-10-31-18/h6-7,10-13,21H,3-5,8-9,14H2,1-2H3,(H,24,30)
InChIKeyGQEFVBBSUDREEN-UHFFFAOYSA-N
XLogP3.35
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(R)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1470838
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195752
3-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 98100884
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3183143
3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 50935455
3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3688483
ethyl 1-[(R)-(6-ethyl-2-oxo-1H-quinolin-3-yl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
CID 1471336
7-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 92764410
3-[(S)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1471251
3-[(S)-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1470944
6-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3195851
3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3767556

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3195741) is 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCCCC3)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is GQEFVBBSUDREEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-11-17-13-19(23(30)24-20(17)12-16(15)2)21(28-8-4-3-5-9-28)22-25-26-27-29(22)14-18-7-6-10-31-18/h6-7,10-13,21H,3-5,8-9,14H2,1-2H3,(H,24,30).
What are the key properties of 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3195741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).