3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one

C25H34N6O — CID 1159204

IUPAC3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H34N6O/c1-16-13-17(2)20-15-21(25(32)26-22(20)14-16)23(30(3)18-9-5-4-6-10-18)24-27-28-29-31(24)19-11-7-8-12-19/h13-15,18-19,23H,4-12H2,1-3H3,(H,26,32)/t23-/m1/s1
InChIKeyWWCLRQXWCYIXEV-HSZRJFAPSA-N
MW434.59 g/mol
LogP4.60
Rot. Bonds5

About 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one

3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 1159204) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
PubChem CID1159204
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H34N6O/c1-16-13-17(2)20-15-21(25(32)26-22(20)14-16)23(30(3)18-9-5-4-6-10-18)24-27-28-29-31(24)19-11-7-8-12-19/h13-15,18-19,23H,4-12H2,1-3H3,(H,26,32)/t23-/m1/s1
InChIKeyWWCLRQXWCYIXEV-HSZRJFAPSA-N
XLogP4.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603314
3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40603412
3-[(S)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1149118
3-[(1-cyclohexyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3176885
3-[(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3176887
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 51420424
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3183072
3-[(1-cyclohexyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3183053
3-[(1-cyclohexyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3150269
3-[(S)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
CID 6970918
3-[(S)-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1159118
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
CID 3173829

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 1159204) is 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is WWCLRQXWCYIXEV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N6O/c1-16-13-17(2)20-15-21(25(32)26-22(20)14-16)23(30(3)18-9-5-4-6-10-18)24-27-28-29-31(24)19-11-7-8-12-19/h13-15,18-19,23H,4-12H2,1-3H3,(H,26,32)/t23-/m1/s1.
What are the key properties of 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one?
3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 434.59 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[cyclohexyl(methyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1159204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).