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

C17H18N2O2 — CID 63423175

IUPAC5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1Cc2ccccc2N(c2ccc(N)cc2C(=O)O)C1
InChIInChI=1S/C17H18N2O2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10,18H2,1H3,(H,20,21)
InChIKeyPFRGGUQGVDMCGK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.30
Rot. Bonds2

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

5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (PubChem CID 63423175) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
PubChem CID63423175
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1Cc2ccccc2N(c2ccc(N)cc2C(=O)O)C1
InChIInChI=1S/C17H18N2O2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10,18H2,1H3,(H,20,21)
InChIKeyPFRGGUQGVDMCGK-UHFFFAOYSA-N
XLogP3.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535830
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535829
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
CID 63532356
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
5-amino-2-(3-phenylazetidin-1-yl)benzoic acid
CID 79689460
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 63551419
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944403

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The IUPAC name of 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (CID 63423175) is 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.
What is the SMILES notation for 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The canonical SMILES for 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is CC1Cc2ccccc2N(c2ccc(N)cc2C(=O)O)C1.
What is the InChIKey of 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The InChIKey is PFRGGUQGVDMCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10,18H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is sourced from PubChem (CID 63423175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).