4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine

C18H19N3 — CID 103000600

IUPAC4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
SMILESCc1cccc(CN(C)c2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)18-8-9-20-17-11-15(19)6-7-16(17)18/h3-11H,12,19H2,1-2H3
InChIKeyINEHGQVOEMIKDL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine

4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine (PubChem CID 103000600) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
PubChem CID103000600
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
SMILESCc1cccc(CN(C)c2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)18-8-9-20-17-11-15(19)6-7-16(17)18/h3-11H,12,19H2,1-2H3
InChIKeyINEHGQVOEMIKDL-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
CID 103002572
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
CID 106947745
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine (CID 103000600) is 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine is Cc1cccc(CN(C)c2ccnc3cc(N)ccc23)c1.
What is the InChIKey of 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine?
The InChIKey is INEHGQVOEMIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)18-8-9-20-17-11-15(19)6-7-16(17)18/h3-11H,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine?
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).