6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C25H37N7O2 — CID 1160212

IUPAC6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCCN1CCN([C@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C(C)(C)CC)CC1
InChIInChI=1S/C25H37N7O2/c1-6-11-30-12-14-31(15-13-30)22(23-27-28-29-32(23)25(4,5)7-2)20-17-18-16-19(34-8-3)9-10-21(18)26-24(20)33/h9-10,16-17,22H,6-8,11-15H2,1-5H3,(H,26,33)/t22-/m1/s1
InChIKeyFCRGHQZZXXUGIJ-JOCHJYFZSA-N
MW467.62 g/mol
LogP3.18
Rot. Bonds9

About 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one

6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 1160212) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID1160212
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC Name6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCCN1CCN([C@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C(C)(C)CC)CC1
InChIInChI=1S/C25H37N7O2/c1-6-11-30-12-14-31(15-13-30)22(23-27-28-29-32(23)25(4,5)7-2)20-17-18-16-19(34-8-3)9-10-21(18)26-24(20)33/h9-10,16-17,22H,6-8,11-15H2,1-5H3,(H,26,33)/t22-/m1/s1
InChIKeyFCRGHQZZXXUGIJ-JOCHJYFZSA-N
XLogP3.18
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-ethoxy-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1160267
6-ethoxy-3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1160226
3-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3150414
3-[(1-tert-butyltetrazol-5-yl)-(4-propylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3149930
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
3-[(1-tert-butyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 3150422
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3183457
6-ethoxy-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ium-1-ylmethyl]-1H-quinolin-2-one
CID 6971863
6-ethyl-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1157790
7-methoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159959
3-[(R)-(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1173540

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 1160212) is 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCCN1CCN([C@H](c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C(C)(C)CC)CC1.
What is the InChIKey of 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is FCRGHQZZXXUGIJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H37N7O2/c1-6-11-30-12-14-31(15-13-30)22(23-27-28-29-32(23)25(4,5)7-2)20-17-18-16-19(34-8-3)9-10-21(18)26-24(20)33/h9-10,16-17,22H,6-8,11-15H2,1-5H3,(H,26,33)/t22-/m1/s1.
What are the key properties of 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 467.62 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-propylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1160212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).