2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid

C17H18N4O2 — CID 110432593

IUPAC2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(NCc2nccn2C)c1CC(=O)O
InChIInChI=1S/C17H18N4O2/c1-11-13(9-16(22)23)17(12-5-3-4-6-14(12)20-11)19-10-15-18-7-8-21(15)2/h3-8H,9-10H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyLDTKGUFZGBOVBR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid

2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid (PubChem CID 110432593) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid
PubChem CID110432593
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(NCc2nccn2C)c1CC(=O)O
InChIInChI=1S/C17H18N4O2/c1-11-13(9-16(22)23)17(12-5-3-4-6-14(12)20-11)19-10-15-18-7-8-21(15)2/h3-8H,9-10H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyLDTKGUFZGBOVBR-UHFFFAOYSA-N
XLogP2.52
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid (CID 110432593) is 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid is Cc1nc2ccccc2c(NCc2nccn2C)c1CC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid?
The InChIKey is LDTKGUFZGBOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-13(9-16(22)23)17(12-5-3-4-6-14(12)20-11)19-10-15-18-7-8-21(15)2/h3-8H,9-10H2,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid?
2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid has a molecular weight of 310.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid is sourced from PubChem (CID 110432593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).