5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid

C16H17N3O2 — CID 114405287

IUPAC5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2c1nc(C(=O)O)ccc1N
InChIInChI=1S/C16H17N3O2/c1-10-4-7-14-11(9-10)3-2-8-19(14)15-12(17)5-6-13(18-15)16(20)21/h4-7,9H,2-3,8,17H2,1H3,(H,20,21)
InChIKeyCWIRSZRUMYZGEU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds2

About 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid

5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid (PubChem CID 114405287) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
PubChem CID114405287
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2c1nc(C(=O)O)ccc1N
InChIInChI=1S/C16H17N3O2/c1-10-4-7-14-11(9-10)3-2-8-19(14)15-12(17)5-6-13(18-15)16(20)21/h4-7,9H,2-3,8,17H2,1H3,(H,20,21)
InChIKeyCWIRSZRUMYZGEU-UHFFFAOYSA-N
XLogP2.75
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 43518422
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
3-bromo-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 102822631
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 63445814
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755883
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 64594554

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid (CID 114405287) is 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid is Cc1ccc2c(c1)CCCN2c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CWIRSZRUMYZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-7-14-11(9-10)3-2-8-19(14)15-12(17)5-6-13(18-15)16(20)21/h4-7,9H,2-3,8,17H2,1H3,(H,20,21).
What are the key properties of 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid?
5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).