5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine

C14H13ClN4 — CID 62741375

IUPAC5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
SMILESCc1[nH]cnc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H13ClN4/c1-9-13(19-8-18-9)7-17-12-5-4-11(15)10-3-2-6-16-14(10)12/h2-6,8,17H,7H2,1H3,(H,18,19)
InChIKeyQIWJRIGLOLICRN-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.53
Rot. Bonds3

About 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine

5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine (PubChem CID 62741375) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
PubChem CID62741375
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
SMILESCc1[nH]cnc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H13ClN4/c1-9-13(19-8-18-9)7-17-12-5-4-11(15)10-3-2-6-16-14(10)12/h2-6,8,17H,7H2,1H3,(H,18,19)
InChIKeyQIWJRIGLOLICRN-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine (CID 62741375) is 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine is Cc1[nH]cnc1CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is QIWJRIGLOLICRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-13(19-8-18-9)7-17-12-5-4-11(15)10-3-2-6-16-14(10)12/h2-6,8,17H,7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine?
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine has a molecular weight of 272.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 62741375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).