2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid

C22H18N2O2 — CID 110435391

IUPAC2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(Nc2ccc3ccccc3c2)c1CC(=O)O
InChIInChI=1S/C22H18N2O2/c1-14-19(13-21(25)26)22(18-8-4-5-9-20(18)23-14)24-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyARELIANSBYFUKM-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.07
Rot. Bonds4

About 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid

2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid (PubChem CID 110435391) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
PubChem CID110435391
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
SMILESCc1nc2ccccc2c(Nc2ccc3ccccc3c2)c1CC(=O)O
InChIInChI=1S/C22H18N2O2/c1-14-19(13-21(25)26)22(18-8-4-5-9-20(18)23-14)24-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyARELIANSBYFUKM-UHFFFAOYSA-N
XLogP5.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
CID 110435547
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
2-[2-methyl-4-[(1-methylimidazol-2-yl)methylamino]quinolin-3-yl]acetic acid
CID 110432593
2-acridin-9-ylacetic acid
CID 15525099

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid (CID 110435391) is 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid is Cc1nc2ccccc2c(Nc2ccc3ccccc3c2)c1CC(=O)O.
What is the InChIKey of 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid?
The InChIKey is ARELIANSBYFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-19(13-21(25)26)22(18-8-4-5-9-20(18)23-14)24-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid?
2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid is sourced from PubChem (CID 110435391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).