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

C32H36N6O — CID 3200116

IUPAC5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O
InChIInChI=1S/C32H36N6O/c1-4-29(31-34-35-36-38(31)20-18-26-13-9-6-10-14-26)37(19-17-25-11-7-5-8-12-25)22-27-21-28-23(2)15-16-24(3)30(28)33-32(27)39/h5-16,21,29H,4,17-20,22H2,1-3H3,(H,33,39)
InChIKeyRPUDDLVWBDBFBL-UHFFFAOYSA-N
MW520.68 g/mol
LogP5.57
Rot. Bonds11

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

5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3200116) has the molecular formula C32H36N6O and a molecular weight of 520.68 g/mol. Its IUPAC name is 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3200116
Molecular FormulaC32H36N6O
Molecular Weight520.68 g/mol
Exact Mass520.30
IUPAC Name5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O
InChIInChI=1S/C32H36N6O/c1-4-29(31-34-35-36-38(31)20-18-26-13-9-6-10-14-26)37(19-17-25-11-7-5-8-12-25)22-27-21-28-23(2)15-16-24(3)30(28)33-32(27)39/h5-16,21,29H,4,17-20,22H2,1-3H3,(H,33,39)
InChIKeyRPUDDLVWBDBFBL-UHFFFAOYSA-N
XLogP5.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5,8-dimethyl-3-[[[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 51667789
3-[[1-(1-benzyltetrazol-5-yl)propyl-(2-phenylethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3199992
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-[(2-methoxyphenyl)methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1465283
3-[[(4-methoxyphenyl)methyl-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 98103982
3-[(R)-[benzyl-[(2-chlorophenyl)methyl]amino]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 98100871
3-[[2-hydroxyethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1464228
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3201154
ethyl 2-[5-[1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyphenyl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3200092
6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199480
5,8-dimethyl-3-[[[(1S)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 124899518
6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204705
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-phenylethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1464982

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (CID 3200116) is 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1CCc1ccccc1)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O.
What is the InChIKey of 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is RPUDDLVWBDBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O/c1-4-29(31-34-35-36-38(31)20-18-26-13-9-6-10-14-26)37(19-17-25-11-7-5-8-12-25)22-27-21-28-23(2)15-16-24(3)30(28)33-32(27)39/h5-16,21,29H,4,17-20,22H2,1-3H3,(H,33,39).
What are the key properties of 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 520.68 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-[[2-phenylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3200116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).