3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

C27H32N6O2 — CID 3176773

IUPAC3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)C(c1cc2cc(C)c(C)cc2[nH]c1=O)c1nnnn1CC1CCCO1
InChIInChI=1S/C27H32N6O2/c1-4-32(16-20-9-6-5-7-10-20)25(26-29-30-31-33(26)17-22-11-8-12-35-22)23-15-21-13-18(2)19(3)14-24(21)28-27(23)34/h5-7,9-10,13-15,22,25H,4,8,11-12,16-17H2,1-3H3,(H,28,34)
InChIKeyINGPIWYTORUJFE-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.92
Rot. Bonds8

About 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3176773) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3176773
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)C(c1cc2cc(C)c(C)cc2[nH]c1=O)c1nnnn1CC1CCCO1
InChIInChI=1S/C27H32N6O2/c1-4-32(16-20-9-6-5-7-10-20)25(26-29-30-31-33(26)17-22-11-8-12-35-22)23-15-21-13-18(2)19(3)14-24(21)28-27(23)34/h5-7,9-10,13-15,22,25H,4,8,11-12,16-17H2,1-3H3,(H,28,34)
InChIKeyINGPIWYTORUJFE-UHFFFAOYSA-N
XLogP3.92
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-[benzyl(ethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 6550980
3-[[benzyl(2-phenylethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3182541
3-[(R)-(4-benzylpiperidin-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148714
3-[(S)-[benzyl(2-phenylethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 6551167
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 28607075
6-methyl-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-[2-phenylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3187075
3-[(R)-[benzyl(ethyl)amino]-(1-tert-butyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 40593730
3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3688483
3-[[benzyl-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 51667619
6,7-dimethyl-3-[(R)-morpholin-4-ium-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 6970898
6,7-dimethyl-3-[(S)-morpholin-4-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1148719
3-[(S)-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 40612059

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3176773) is 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is CCN(Cc1ccccc1)C(c1cc2cc(C)c(C)cc2[nH]c1=O)c1nnnn1CC1CCCO1.
What is the InChIKey of 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is INGPIWYTORUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-4-32(16-20-9-6-5-7-10-20)25(26-29-30-31-33(26)17-22-11-8-12-35-22)23-15-21-13-18(2)19(3)14-24(21)28-27(23)34/h5-7,9-10,13-15,22,25H,4,8,11-12,16-17H2,1-3H3,(H,28,34).
What are the key properties of 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 472.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3176773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).