9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one

C20H24N2O3 — CID 122650468

IUPAC9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c2n(c(NCC3CCCCO3)cc1=O)CCc1cc(O)ccc1-2
InChIInChI=1S/C20H24N2O3/c1-13-18(24)11-19(21-12-16-4-2-3-9-25-16)22-8-7-14-10-15(23)5-6-17(14)20(13)22/h5-6,10-11,16,21,23H,2-4,7-9,12H2,1H3
InChIKeyIKELDNOCBWLHRE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.07
Rot. Bonds3

About 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one

9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 122650468) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID122650468
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCc1c2n(c(NCC3CCCCO3)cc1=O)CCc1cc(O)ccc1-2
InChIInChI=1S/C20H24N2O3/c1-13-18(24)11-19(21-12-16-4-2-3-9-25-16)22-8-7-14-10-15(23)5-6-17(14)20(13)22/h5-6,10-11,16,21,23H,2-4,7-9,12H2,1H3
InChIKeyIKELDNOCBWLHRE-UHFFFAOYSA-N
XLogP3.07
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-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

9-butoxy-4-[[(2R)-1,4-dioxan-2-yl]methylamino]-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122650348
9-(2,2-difluoroethoxy)-4-[[(2R)-1,4-dioxan-2-yl]methylamino]-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641932
4-[[(2R)-1,4-dioxan-2-yl]methylamino]-1,9-dimethyl-6,7-dihydrobenzo[a]quinolizin-2-one;N-[[(2R)-1,4-dioxan-2-yl]methyl]-1,9-dimethyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine
CID 162102008
1-methyl-2-(oxolan-2-ylmethylamino)-10-(sulfanylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 144982871
9-hydroxy-2-(oxolan-2-ylmethoxy)-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
CID 126662686
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(hydroxymethoxy)-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 146406571
8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610055
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-9-pyridin-4-yl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641870
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569
4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 145172990
2-(1,4-dioxan-2-ylmethylamino)-10-hydroxy-9-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610020
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one (CID 122650468) is 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one is Cc1c2n(c(NCC3CCCCO3)cc1=O)CCc1cc(O)ccc1-2.
What is the InChIKey of 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is IKELDNOCBWLHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-18(24)11-19(21-12-16-4-2-3-9-25-16)22-8-7-14-10-15(23)5-6-17(14)20(13)22/h5-6,10-11,16,21,23H,2-4,7-9,12H2,1H3.
What are the key properties of 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one?
9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 122650468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).