3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

C19H26N6O2 — CID 75260688

IUPAC3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCOc1cc(NCC2CC3CC(C)CCC3NC2=O)ccc1-n1cnnn1
InChIInChI=1S/C19H26N6O2/c1-12-3-5-16-13(7-12)8-14(19(26)22-16)10-20-15-4-6-17(18(9-15)27-2)25-11-21-23-24-25/h4,6,9,11-14,16,20H,3,5,7-8,10H2,1-2H3,(H,22,26)
InChIKeyPLOXMXFNHYRSKT-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.02
Rot. Bonds5

About 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (PubChem CID 75260688) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
PubChem CID75260688
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCOc1cc(NCC2CC3CC(C)CCC3NC2=O)ccc1-n1cnnn1
InChIInChI=1S/C19H26N6O2/c1-12-3-5-16-13(7-12)8-14(19(26)22-16)10-20-15-4-6-17(18(9-15)27-2)25-11-21-23-24-25/h4,6,9,11-14,16,20H,3,5,7-8,10H2,1-2H3,(H,22,26)
InChIKeyPLOXMXFNHYRSKT-UHFFFAOYSA-N
XLogP2.02
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 46952127
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 75260387
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 145866756
6-chloro-3-({[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-
CID 145866767
3-({[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-
CID 75260687
3-({[3-Methoxy-4-(4-methyl-
CID 145866753
1-acetyl-N-[2-methoxy-4-(1H-tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 131892715
(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 164630955
4-(4-fluorophenyl)-N-[2-methoxy-4-(1H-tetrazol-1-yl)phenyl]butanamide
CID 131912508

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The IUPAC name of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (CID 75260688) is 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is COc1cc(NCC2CC3CC(C)CCC3NC2=O)ccc1-n1cnnn1.
What is the InChIKey of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The InChIKey is PLOXMXFNHYRSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-3-5-16-13(7-12)8-14(19(26)22-16)10-20-15-4-6-17(18(9-15)27-2)25-11-21-23-24-25/h4,6,9,11-14,16,20H,3,5,7-8,10H2,1-2H3,(H,22,26).
What are the key properties of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one has a molecular weight of 370.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is sourced from PubChem (CID 75260688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).