6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine

C19H21N3 — CID 67392005

IUPAC6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine
SMILESCc1cccc(Cc2c(N)cnc3ccc(N(C)C)cc23)c1
InChIInChI=1S/C19H21N3/c1-13-5-4-6-14(9-13)10-16-17-11-15(22(2)3)7-8-19(17)21-12-18(16)20/h4-9,11-12H,10,20H2,1-3H3
InChIKeyLJIBRHIGDUQFDU-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.78
Rot. Bonds3

About 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine

6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine (PubChem CID 67392005) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine
PubChem CID67392005
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine
SMILESCc1cccc(Cc2c(N)cnc3ccc(N(C)C)cc23)c1
InChIInChI=1S/C19H21N3/c1-13-5-4-6-14(9-13)10-16-17-11-15(22(2)3)7-8-19(17)21-12-18(16)20/h4-9,11-12H,10,20H2,1-3H3
InChIKeyLJIBRHIGDUQFDU-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylquinoline
CID 7059
1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methylquinoxaline
CID 61670
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
5-Aminoisoquinoline
CID 70766
8-Methylquinoline
CID 11910
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine (CID 67392005) is 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine is Cc1cccc(Cc2c(N)cnc3ccc(N(C)C)cc23)c1.
What is the InChIKey of 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine?
The InChIKey is LJIBRHIGDUQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13-5-4-6-14(9-13)10-16-17-11-15(22(2)3)7-8-19(17)21-12-18(16)20/h4-9,11-12H,10,20H2,1-3H3.
What are the key properties of 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine?
6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine has a molecular weight of 291.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine is sourced from PubChem (CID 67392005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).