6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

C27H34N8O2 — CID 3186395

IUPAC6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C27H34N8O2/c1-5-27(2,3)35-25(30-31-32-35)24(22-17-19-16-21(37-4)9-10-23(19)29-26(22)36)34-14-12-33(13-15-34)18-20-8-6-7-11-28-20/h6-11,16-17,24H,5,12-15,18H2,1-4H3,(H,29,36)
InChIKeyINHWOLYVZFMQMA-UHFFFAOYSA-N
MW502.62 g/mol
LogP2.97
Rot. Bonds8

About 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 3186395) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID3186395
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC Name6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C27H34N8O2/c1-5-27(2,3)35-25(30-31-32-35)24(22-17-19-16-21(37-4)9-10-23(19)29-26(22)36)34-14-12-33(13-15-34)18-20-8-6-7-11-28-20/h6-11,16-17,24H,5,12-15,18H2,1-4H3,(H,29,36)
InChIKeyINHWOLYVZFMQMA-UHFFFAOYSA-N
XLogP2.97
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1160212
3-[(S)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1159441
6-ethoxy-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1160267
7-methoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159959
6-ethoxy-3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1160226
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 3183257
3-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 1074509
7-[[4-(4-methoxyphenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183704
3-[(1-tert-butyltetrazol-5-yl)-(4-hydroxypiperidin-1-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 3150349
3-[(1-tert-butyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3150422
3-[(S)-(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1074515

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 3186395) is 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is INHWOLYVZFMQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-5-27(2,3)35-25(30-31-32-35)24(22-17-19-16-21(37-4)9-10-23(19)29-26(22)36)34-14-12-33(13-15-34)18-20-8-6-7-11-28-20/h6-11,16-17,24H,5,12-15,18H2,1-4H3,(H,29,36).
What are the key properties of 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 502.62 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3186395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).