7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C27H33N7O — CID 3182673

IUPAC7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H33N7O/c1-5-27(3,4)34-25(29-30-31-34)24(22-18-20-12-11-19(2)17-23(20)28-26(22)35)33-15-13-32(14-16-33)21-9-7-6-8-10-21/h6-12,17-18,24H,5,13-16H2,1-4H3,(H,28,35)
InChIKeyBUHIYDXAHHIEOH-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.88
Rot. Bonds6

About 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one

7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 3182673) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID3182673
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H33N7O/c1-5-27(3,4)34-25(29-30-31-34)24(22-18-20-12-11-19(2)17-23(20)28-26(22)35)33-15-13-32(14-16-33)21-9-7-6-8-10-21/h6-12,17-18,24H,5,13-16H2,1-4H3,(H,28,35)
InChIKeyBUHIYDXAHHIEOH-UHFFFAOYSA-N
XLogP3.88
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 644452
3-{[4-(2-Fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 646864
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647382
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647547
6-Ethyl-3-{[4-(4-fluoro-phenyl)-piperazin-1-yl]-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1H-quinolin-2-one
CID 647600
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647943
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 648363
3-[[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 649334
6-Ethyl-3-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(4-phenyl-piperazin-1-yl)-methyl]-1H-quinolin-2-one
CID 649350
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(7,8-dimethyl-2-oxo-1,2-dihydro-quinolin-3-yl)-methyl]-piperidine-4-carboxylic acid ethyl ester
CID 649898
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 650853

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 3182673) is 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is BUHIYDXAHHIEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-5-27(3,4)34-25(29-30-31-34)24(22-18-20-12-11-19(2)17-23(20)28-26(22)35)33-15-13-32(14-16-33)21-9-7-6-8-10-21/h6-12,17-18,24H,5,13-16H2,1-4H3,(H,28,35).
What are the key properties of 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 471.61 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3182673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).