3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

C27H38N6O2 — CID 51668136

IUPAC3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C27H38N6O2/c1-4-8-25(26-29-30-31-33(26)17-23-11-7-12-35-23)32(22-9-5-6-10-22)16-21-15-20-13-18(2)19(3)14-24(20)28-27(21)34/h13-15,22-23,25H,4-12,16-17H2,1-3H3,(H,28,34)/t23-,25+/m1/s1
InChIKeyMWXRTWVZRPSMNC-NOZRDPDXSA-N
MW478.64 g/mol
LogP4.60
Rot. Bonds9

About 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 51668136) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID51668136
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1
InChIInChI=1S/C27H38N6O2/c1-4-8-25(26-29-30-31-33(26)17-23-11-7-12-35-23)32(22-9-5-6-10-22)16-21-15-20-13-18(2)19(3)14-24(20)28-27(21)34/h13-15,22-23,25H,4-12,16-17H2,1-3H3,(H,28,34)/t23-,25+/m1/s1
InChIKeyMWXRTWVZRPSMNC-NOZRDPDXSA-N
XLogP4.60
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclohexyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 51668192
3-[[cyclopentyl-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199282
3-[[cyclohexyl-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 51668308
3-[[cyclohexyl-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204674
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 124899717
6-ethyl-3-[[(4-methoxyphenyl)methyl-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-1H-quinolin-2-one
CID 51668108
3-[[2-hydroxyethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 124899676
ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3199766
8-[[cyclopentyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1437155
7-[[cyclopentyl-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1437908
3-[[benzyl(ethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3176773
3-[azepan-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3688483

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 51668136) is 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is MWXRTWVZRPSMNC-NOZRDPDXSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-4-8-25(26-29-30-31-33(26)17-23-11-7-12-35-23)32(22-9-5-6-10-22)16-21-15-20-13-18(2)19(3)14-24(20)28-27(21)34/h13-15,22-23,25H,4-12,16-17H2,1-3H3,(H,28,34)/t23-,25+/m1/s1.
What are the key properties of 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 478.64 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 51668136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).