N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine

C17H20N4 — CID 82887052

IUPACN-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)c1cncn1C
InChIInChI=1S/C17H20N4/c1-3-8-19-17(16-11-18-12-21(16)2)14-9-13-6-4-5-7-15(13)20-10-14/h4-7,9-12,17,19H,3,8H2,1-2H3
InChIKeyGUMMMXVGAHFHAL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.06
Rot. Bonds5

About N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine

N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine (PubChem CID 82887052) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
PubChem CID82887052
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)c1cncn1C
InChIInChI=1S/C17H20N4/c1-3-8-19-17(16-11-18-12-21(16)2)14-9-13-6-4-5-7-15(13)20-10-14/h4-7,9-12,17,19H,3,8H2,1-2H3
InChIKeyGUMMMXVGAHFHAL-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine (CID 82887052) is N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccccc2c1)c1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine?
The InChIKey is GUMMMXVGAHFHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-8-19-17(16-11-18-12-21(16)2)14-9-13-6-4-5-7-15(13)20-10-14/h4-7,9-12,17,19H,3,8H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine?
N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 82887052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).