2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide

C18H21N3O3 — CID 177042946

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)c(=O)n2c1CCCC2
InChIInChI=1S/C18H21N3O3/c1-9-6-7-12(22)10(2)13(9)14-11-5-3-4-8-21(11)18(24)15(16(14)19)17(20)23/h6-7,22H,3-5,8,19H2,1-2H3,(H2,20,23)
InChIKeyIMWCZVPYOZFQLK-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide (PubChem CID 177042946) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide
PubChem CID177042946
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)c(=O)n2c1CCCC2
InChIInChI=1S/C18H21N3O3/c1-9-6-7-12(22)10(2)13(9)14-11-5-3-4-8-21(11)18(24)15(16(14)19)17(20)23/h6-7,22H,3-5,8,19H2,1-2H3,(H2,20,23)
InChIKeyIMWCZVPYOZFQLK-UHFFFAOYSA-N
XLogP1.86
TPSA111.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide (CID 177042946) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide is Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)c(=O)n2c1CCCC2.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide?
The InChIKey is IMWCZVPYOZFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-9-6-7-12(22)10(2)13(9)14-11-5-3-4-8-21(11)18(24)15(16(14)19)17(20)23/h6-7,22H,3-5,8,19H2,1-2H3,(H2,20,23).
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-3-carboxamide is sourced from PubChem (CID 177042946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).