5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid

C15H18N2O3 — CID 150808823

IUPAC5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)N)c2cc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-9-10(14(18)19)7-11-12(17-9)5-4-6-13(11)20-8-15(2,3)16/h4-7H,8,16H2,1-3H3,(H,18,19)
InChIKeyKHLMAMBAMKIUNP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds4

About 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid

5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid (PubChem CID 150808823) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
PubChem CID150808823
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)(C)N)c2cc1C(=O)O
InChIInChI=1S/C15H18N2O3/c1-9-10(14(18)19)7-11-12(17-9)5-4-6-13(11)20-8-15(2,3)16/h4-7H,8,16H2,1-3H3,(H,18,19)
InChIKeyKHLMAMBAMKIUNP-UHFFFAOYSA-N
XLogP2.36
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190144
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
3-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 122414021
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid (CID 150808823) is 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)(C)N)c2cc1C(=O)O.
What is the InChIKey of 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
The InChIKey is KHLMAMBAMKIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-10(14(18)19)7-11-12(17-9)5-4-6-13(11)20-8-15(2,3)16/h4-7H,8,16H2,1-3H3,(H,18,19).
What are the key properties of 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid?
5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 150808823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).