8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine

C17H20N4 — CID 66130149

IUPAC8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
SMILESCCCn1cncc1CNc1ccc(C)c2ncccc12
InChIInChI=1S/C17H20N4/c1-3-9-21-12-18-10-14(21)11-20-16-7-6-13(2)17-15(16)5-4-8-19-17/h4-8,10,12,20H,3,9,11H2,1-2H3
InChIKeyDUOUAVQARYBXSV-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.76
Rot. Bonds5

About 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine

8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine (PubChem CID 66130149) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
PubChem CID66130149
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine
SMILESCCCn1cncc1CNc1ccc(C)c2ncccc12
InChIInChI=1S/C17H20N4/c1-3-9-21-12-18-10-14(21)11-20-16-7-6-13(2)17-15(16)5-4-8-19-17/h4-8,10,12,20H,3,9,11H2,1-2H3
InChIKeyDUOUAVQARYBXSV-UHFFFAOYSA-N
XLogP3.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine (CID 66130149) is 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine is CCCn1cncc1CNc1ccc(C)c2ncccc12.
What is the InChIKey of 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine?
The InChIKey is DUOUAVQARYBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-9-21-12-18-10-14(21)11-20-16-7-6-13(2)17-15(16)5-4-8-19-17/h4-8,10,12,20H,3,9,11H2,1-2H3.
What are the key properties of 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine?
8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(3-propylimidazol-4-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 66130149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).