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

C25H29N7O2 — CID 3186304

IUPAC5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3cccnc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N7O2/c1-17-9-18(2)22-11-20(25(33)27-23(22)10-17)14-31(13-19-5-3-7-26-12-19)16-24-28-29-30-32(24)15-21-6-4-8-34-21/h3,5,7,9-12,21H,4,6,8,13-16H2,1-2H3,(H,27,33)
InChIKeyLODVPKKNVIXRPH-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.91
Rot. Bonds8

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

5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3186304) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID3186304
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CN(Cc3cccnc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N7O2/c1-17-9-18(2)22-11-20(25(33)27-23(22)10-17)14-31(13-19-5-3-7-26-12-19)16-24-28-29-30-32(24)15-21-6-4-8-34-21/h3,5,7,9-12,21H,4,6,8,13-16H2,1-2H3,(H,27,33)
InChIKeyLODVPKKNVIXRPH-UHFFFAOYSA-N
XLogP2.91
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[[benzyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171412
3-[[(4-methoxyphenyl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171417
5,7-dimethyl-3-[[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1171425
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171398
3-[[cyclopentyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3186310
7-methyl-3-[[(4-methylphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3199042
3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463896
3-[[(4-fluorophenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3186219
7-[[(4-methylphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3709936
3-[[(4-methoxyphenyl)methyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170811
3-[[benzyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170716
3-[[1,3-benzodioxol-5-ylmethyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170813

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 3186304) is 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is Cc1cc(C)c2cc(CN(Cc3cccnc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is LODVPKKNVIXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17-9-18(2)22-11-20(25(33)27-23(22)10-17)14-31(13-19-5-3-7-26-12-19)16-24-28-29-30-32(24)15-21-6-4-8-34-21/h3,5,7,9-12,21H,4,6,8,13-16H2,1-2H3,(H,27,33).
What are the key properties of 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?
5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 459.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3186304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).