3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

C25H29N7O — CID 1145146

IUPAC3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCCN1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N7O/c1-3-30-12-14-31(15-13-30)23(21-16-20-11-7-8-18(2)22(20)26-25(21)33)24-27-28-29-32(24)17-19-9-5-4-6-10-19/h4-11,16,23H,3,12-15,17H2,1-2H3,(H,26,33)/t23-/m1/s1
InChIKeySGWOYAKREXNCGQ-HSZRJFAPSA-N
MW443.56 g/mol
LogP2.60
Rot. Bonds6

About 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 1145146) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
PubChem CID1145146
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCCN1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C25H29N7O/c1-3-30-12-14-31(15-13-30)23(21-16-20-11-7-8-18(2)22(20)26-25(21)33)24-27-28-29-32(24)17-19-9-5-4-6-10-19/h4-11,16,23H,3,12-15,17H2,1-2H3,(H,26,33)/t23-/m1/s1
InChIKeySGWOYAKREXNCGQ-HSZRJFAPSA-N
XLogP2.60
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1145616
3-[(R)-(1-benzyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1145152
3-[(R)-(1-benzyltetrazol-5-yl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158410
3-[(R)-(4-benzylpiperazin-1-yl)-(1-benzyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1145628
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3182844
3-[(S)-(1-benzyltetrazol-5-yl)-(4-propylpiperazin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1158160
ethyl 1-[(1-benzyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 3182858
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 1158470
3-[(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3182735
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158524
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 3182824
3-[(S)-(4-benzylpiperazin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1145223

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (CID 1145146) is 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is CCN1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is SGWOYAKREXNCGQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29N7O/c1-3-30-12-14-31(15-13-30)23(21-16-20-11-7-8-18(2)22(20)26-25(21)33)24-27-28-29-32(24)17-19-9-5-4-6-10-19/h4-11,16,23H,3,12-15,17H2,1-2H3,(H,26,33)/t23-/m1/s1.
What are the key properties of 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 443.56 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1145146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).