2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid

C19H15FN4O2 — CID 110435547

IUPAC2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(Nc2ccc3cn[nH]c3c2)c1CC(=O)O
InChIInChI=1S/C19H15FN4O2/c1-10-14(8-18(25)26)19(15-6-12(20)3-5-16(15)22-10)23-13-4-2-11-9-21-24-17(11)7-13/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyOUUFBTMTSQKTNB-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.93
Rot. Bonds4

About 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid

2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid (PubChem CID 110435547) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
PubChem CID110435547
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(Nc2ccc3cn[nH]c3c2)c1CC(=O)O
InChIInChI=1S/C19H15FN4O2/c1-10-14(8-18(25)26)19(15-6-12(20)3-5-16(15)22-10)23-13-4-2-11-9-21-24-17(11)7-13/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyOUUFBTMTSQKTNB-UHFFFAOYSA-N
XLogP3.93
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid (CID 110435547) is 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccc(F)cc2c(Nc2ccc3cn[nH]c3c2)c1CC(=O)O.
What is the InChIKey of 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is OUUFBTMTSQKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-10-14(8-18(25)26)19(15-6-12(20)3-5-16(15)22-10)23-13-4-2-11-9-21-24-17(11)7-13/h2-7,9H,8H2,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid?
2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 350.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110435547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).