N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide

C17H16N4 — CID 144584922

IUPACN'-amino-2-methyl-4-phenylquinoline-3-carboximidamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1/C(N)=N/N
InChIInChI=1S/C17H16N4/c1-11-15(17(18)21-19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-11/h2-10H,19H2,1H3,(H2,18,21)
InChIKeyCZIXQZSIYUCWLJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.79
Rot. Bonds2

About N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide

N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide (PubChem CID 144584922) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-2-methyl-4-phenylquinoline-3-carboximidamide
PubChem CID144584922
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN'-amino-2-methyl-4-phenylquinoline-3-carboximidamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1/C(N)=N/N
InChIInChI=1S/C17H16N4/c1-11-15(17(18)21-19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-11/h2-10H,19H2,1H3,(H2,18,21)
InChIKeyCZIXQZSIYUCWLJ-UHFFFAOYSA-N
XLogP2.79
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 134138354
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
CID 42914787
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
2-(3-amino-4-phenylquinolin-2-yl)propan-2-ol
CID 132590331
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide?
The IUPAC name of N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide (CID 144584922) is N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide.
What is the SMILES notation for N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide?
The canonical SMILES for N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide is Cc1nc2ccccc2c(-c2ccccc2)c1/C(N)=N/N.
What is the InChIKey of N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide?
The InChIKey is CZIXQZSIYUCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-15(17(18)21-19)16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-11/h2-10H,19H2,1H3,(H2,18,21).
What are the key properties of N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide?
N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide has a molecular weight of 276.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide is sourced from PubChem (CID 144584922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).