6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one

C30H40N6O — CID 3201229

IUPAC6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C30H40N6O/c1-8-26(28-32-33-34-36(28)30(6,7)9-2)35(14-13-23-12-10-11-20(3)16-23)19-25-18-24-17-21(4)15-22(5)27(24)31-29(25)37/h10-12,15-18,26H,8-9,13-14,19H2,1-7H3,(H,31,37)
InChIKeyBRIMPPVCHOOADO-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.78
Rot. Bonds10

About 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one

6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3201229) has the molecular formula C30H40N6O and a molecular weight of 500.69 g/mol. Its IUPAC name is 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3201229
Molecular FormulaC30H40N6O
Molecular Weight500.69 g/mol
Exact Mass500.33
IUPAC Name6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1C(C)(C)CC)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C30H40N6O/c1-8-26(28-32-33-34-36(28)30(6,7)9-2)35(14-13-23-12-10-11-20(3)16-23)19-25-18-24-17-21(4)15-22(5)27(24)31-29(25)37/h10-12,15-18,26H,8-9,13-14,19H2,1-7H3,(H,31,37)
InChIKeyBRIMPPVCHOOADO-UHFFFAOYSA-N
XLogP5.78
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[2-hydroxyethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23829509
6,8-dimethyl-3-[[[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465418
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 51625369
3-[[benzyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199836
8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3204335
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899755
6-ethoxy-3-[[[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1465470
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-phenylethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1464982
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 7382767
3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204306
5,7-dimethyl-3-[[[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465085
3-[[(4-fluorophenyl)methyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199248

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one (CID 3201229) is 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1C(C)(C)CC)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is BRIMPPVCHOOADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O/c1-8-26(28-32-33-34-36(28)30(6,7)9-2)35(14-13-23-12-10-11-20(3)16-23)19-25-18-24-17-21(4)15-22(5)27(24)31-29(25)37/h10-12,15-18,26H,8-9,13-14,19H2,1-7H3,(H,31,37).
What are the key properties of 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 500.69 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3201229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).