4-(N-methylanilino)cinnoline-3-carboxylic acid

C16H13N3O2 — CID 64622262

IUPAC4-(N-methylanilino)cinnoline-3-carboxylic acid
SMILESCN(c1ccccc1)c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C16H13N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-18-14(15)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyAAZMHZZWPCPMBA-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.10
Rot. Bonds3

About 4-(N-methylanilino)cinnoline-3-carboxylic acid

4-(N-methylanilino)cinnoline-3-carboxylic acid (PubChem CID 64622262) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(N-methylanilino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(N-methylanilino)cinnoline-3-carboxylic acid
PubChem CID64622262
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(N-methylanilino)cinnoline-3-carboxylic acid
SMILESCN(c1ccccc1)c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C16H13N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-18-14(15)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyAAZMHZZWPCPMBA-UHFFFAOYSA-N
XLogP3.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyanoethyl(methyl)amino]cinnoline-3-carboxylic acid
CID 64624771
4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid
CID 64624572
4-[ethyl(2,2,2-trifluoroethyl)amino]cinnoline-3-carboxylic acid
CID 64622706
4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
CID 67104775
4-[2-cyanoethyl(propan-2-yl)amino]cinnoline-3-carboxylic acid
CID 64622292
4-(N-methylanilino)-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 71062692
4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
CID 64623948
4-(3,3,3-trifluoropropoxy)cinnoline-3-carboxylic acid
CID 82955204
4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
4-(3-methylbutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64623106
4-(2,2-difluoroethoxy)cinnoline-3-carboxylic acid
CID 82004731
4-(2-iodophenoxy)cinnoline-3-carboxylic acid
CID 64622260

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(N-methylanilino)cinnoline-3-carboxylic acid (CID 64622262) is 4-(N-methylanilino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(N-methylanilino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(N-methylanilino)cinnoline-3-carboxylic acid is CN(c1ccccc1)c1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-(N-methylanilino)cinnoline-3-carboxylic acid?
The InChIKey is AAZMHZZWPCPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-18-14(15)16(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 4-(N-methylanilino)cinnoline-3-carboxylic acid?
4-(N-methylanilino)cinnoline-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).