3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine

C17H18N4 — CID 3111132

IUPAC3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1ccc2cc(C)c(NN=Cc3cccn3C)nc2c1
InChIInChI=1S/C17H18N4/c1-12-6-7-14-10-13(2)17(19-16(14)9-12)20-18-11-15-5-4-8-21(15)3/h4-11H,1-3H3,(H,19,20)
InChIKeyOSYKPVSSUDUPSE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.64
Rot. Bonds3

About 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine

3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine (PubChem CID 3111132) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
PubChem CID3111132
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1ccc2cc(C)c(NN=Cc3cccn3C)nc2c1
InChIInChI=1S/C17H18N4/c1-12-6-7-14-10-13(2)17(19-16(14)9-12)20-18-11-15-5-4-8-21(15)3/h4-11H,1-3H3,(H,19,20)
InChIKeyOSYKPVSSUDUPSE-UHFFFAOYSA-N
XLogP3.64
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126095341
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
CID 119082829
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
CID 611756
4-[2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 5202199
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-2-carboxamide
CID 42994985
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-cyano-N-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 4557075

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine (CID 3111132) is 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine is Cc1ccc2cc(C)c(NN=Cc3cccn3C)nc2c1.
What is the InChIKey of 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The InChIKey is OSYKPVSSUDUPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-6-7-14-10-13(2)17(19-16(14)9-12)20-18-11-15-5-4-8-21(15)3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 3111132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).