2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine

C17H17N3O — CID 43450854

IUPAC2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
SMILESCOc1ccc(CNc2ccc3cc(N)ccc3n2)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-6-2-12(3-7-15)11-19-17-9-4-13-10-14(18)5-8-16(13)20-17/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyQHVPKMRPLLICLC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine

2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine (PubChem CID 43450854) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
PubChem CID43450854
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
SMILESCOc1ccc(CNc2ccc3cc(N)ccc3n2)cc1
InChIInChI=1S/C17H17N3O/c1-21-15-6-2-12(3-7-15)11-19-17-9-4-13-10-14(18)5-8-16(13)20-17/h2-10H,11,18H2,1H3,(H,19,20)
InChIKeyQHVPKMRPLLICLC-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
CID 43450886
N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine
CID 133474811
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050
2-N-[(4,5-dimethylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 65246656
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
CID 68515659
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 170993950
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 162052936
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine (CID 43450854) is 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine is COc1ccc(CNc2ccc3cc(N)ccc3n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine?
The InChIKey is QHVPKMRPLLICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-15-6-2-12(3-7-15)11-19-17-9-4-13-10-14(18)5-8-16(13)20-17/h2-10H,11,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine?
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine is sourced from PubChem (CID 43450854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).