3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

C28H31N7O2 — CID 1436848

IUPAC3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C
InChIInChI=1S/C28H31N7O2/c1-18(2)26(27-31-32-33-35(27)17-24-8-6-12-37-24)34(15-21-7-5-11-29-14-21)16-23-13-22-10-9-19(3)20(4)25(22)30-28(23)36/h5-14,18,26H,15-17H2,1-4H3,(H,30,36)/t26-/m0/s1
InChIKeyOVYIFUVEUVIILD-SANMLTNESA-N
MW497.60 g/mol
LogP4.57
Rot. Bonds9

About 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 1436848) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID1436848
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C
InChIInChI=1S/C28H31N7O2/c1-18(2)26(27-31-32-33-35(27)17-24-8-6-12-37-24)34(15-21-7-5-11-29-14-21)16-23-13-22-10-9-19(3)20(4)25(22)30-28(23)36/h5-14,18,26H,15-17H2,1-4H3,(H,30,36)/t26-/m0/s1
InChIKeyOVYIFUVEUVIILD-SANMLTNESA-N
XLogP4.57
TPSA105.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1438217
3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 51668104
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3203354
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1436863
3-[[[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1465195
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1438177
ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
CID 1438145
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
7-[[(2-chlorophenyl)methyl-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1438116
3-[(1-benzyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3187545
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436525
3-[[furan-2-ylmethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 124899540

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 1436848) is 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C.
What is the InChIKey of 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is OVYIFUVEUVIILD-SANMLTNESA-N. The full InChI is InChI=1S/C28H31N7O2/c1-18(2)26(27-31-32-33-35(27)17-24-8-6-12-37-24)34(15-21-7-5-11-29-14-21)16-23-13-22-10-9-19(3)20(4)25(22)30-28(23)36/h5-14,18,26H,15-17H2,1-4H3,(H,30,36)/t26-/m0/s1.
What are the key properties of 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 497.60 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1436848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).