7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

C25H35N7O3 — CID 3186251

IUPAC7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H35N7O3/c1-18-5-6-20-14-21(25(33)26-24(20)19(18)2)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-22-4-3-11-35-22/h5-6,14,22H,3-4,7-13,15-17H2,1-2H3,(H,26,33)
InChIKeyOSCSCHWQHKJOQB-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.64
Rot. Bonds9

About 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3186251) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3186251
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H35N7O3/c1-18-5-6-20-14-21(25(33)26-24(20)19(18)2)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-22-4-3-11-35-22/h5-6,14,22H,3-4,7-13,15-17H2,1-2H3,(H,26,33)
InChIKeyOSCSCHWQHKJOQB-UHFFFAOYSA-N
XLogP1.64
TPSA101.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171024
3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171051
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 4072418
3-[[(4-fluorophenyl)methyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170901
3-[[3-hydroxypropyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 7384340
7-methyl-3-[[(4-methylphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3199042
3-[[(1-tert-butyltetrazol-5-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170864
3-[[(1-benzyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170927
7,8-dimethyl-3-[(S)-morpholin-4-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145373
3-[[(4-fluorophenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3186219
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171238
3-[[(4-methoxyphenyl)methyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170811

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 3186251) is 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C.
What is the InChIKey of 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is OSCSCHWQHKJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-18-5-6-20-14-21(25(33)26-24(20)19(18)2)15-31(8-7-30-9-12-34-13-10-30)17-23-27-28-29-32(23)16-22-4-3-11-35-22/h5-6,14,22H,3-4,7-13,15-17H2,1-2H3,(H,26,33).
What are the key properties of 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 481.60 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-[[2-morpholin-4-ylethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3186251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).