8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine

C18H19N3 — CID 43450085

IUPAC8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
SMILESCc1ccc(CN(C)c2ccc(N)c3cccnc23)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16(19)15-4-3-11-20-18(15)17/h3-11H,12,19H2,1-2H3
InChIKeyVDVDOOQLHBRKHV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine

8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine (PubChem CID 43450085) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
PubChem CID43450085
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
SMILESCc1ccc(CN(C)c2ccc(N)c3cccnc23)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16(19)15-4-3-11-20-18(15)17/h3-11H,12,19H2,1-2H3
InChIKeyVDVDOOQLHBRKHV-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

6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066
5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine (CID 43450085) is 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine is Cc1ccc(CN(C)c2ccc(N)c3cccnc23)cc1.
What is the InChIKey of 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine?
The InChIKey is VDVDOOQLHBRKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16(19)15-4-3-11-20-18(15)17/h3-11H,12,19H2,1-2H3.
What are the key properties of 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine?
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-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 8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 43450085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).