4-amino-N-methyl-N-phenylcinnoline-3-carboxamide

C16H14N4O — CID 67104775

IUPAC4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
SMILESCN(C(=O)c1nnc2ccccc2c1N)c1ccccc1
InChIInChI=1S/C16H14N4O/c1-20(11-7-3-2-4-8-11)16(21)15-14(17)12-9-5-6-10-13(12)18-19-15/h2-10H,1H3,(H2,17,18)
InChIKeyZLMCEQOQPPJOJQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.49
Rot. Bonds2

About 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide

4-amino-N-methyl-N-phenylcinnoline-3-carboxamide (PubChem CID 67104775) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
PubChem CID67104775
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
SMILESCN(C(=O)c1nnc2ccccc2c1N)c1ccccc1
InChIInChI=1S/C16H14N4O/c1-20(11-7-3-2-4-8-11)16(21)15-14(17)12-9-5-6-10-13(12)18-19-15/h2-10H,1H3,(H2,17,18)
InChIKeyZLMCEQOQPPJOJQ-UHFFFAOYSA-N
XLogP2.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
4-(N-methylanilino)cinnoline-3-carboxylic acid
CID 64622262
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
CID 10514551
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cinnoline-3-carboxamide
CID 167836370
N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
2-amino-N,N-dimethylquinazoline-4-carboxamide
CID 25159575
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide
CID 27266266

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide (CID 67104775) is 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide is CN(C(=O)c1nnc2ccccc2c1N)c1ccccc1.
What is the InChIKey of 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide?
The InChIKey is ZLMCEQOQPPJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20(11-7-3-2-4-8-11)16(21)15-14(17)12-9-5-6-10-13(12)18-19-15/h2-10H,1H3,(H2,17,18).
What are the key properties of 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide?
4-amino-N-methyl-N-phenylcinnoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-phenylcinnoline-3-carboxamide is sourced from PubChem (CID 67104775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).