N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine

C16H16N4 — CID 43282124

IUPACN-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(-n3ccnc3)c(CNC3CC3)cc2c1
InChIInChI=1S/C16H16N4/c1-2-4-15-12(3-1)9-13(10-18-14-5-6-14)16(19-15)20-8-7-17-11-20/h1-4,7-9,11,14,18H,5-6,10H2
InChIKeyBXZQVQDLFLQBHM-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.67
Rot. Bonds4

About N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine

N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 43282124) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
PubChem CID43282124
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(-n3ccnc3)c(CNC3CC3)cc2c1
InChIInChI=1S/C16H16N4/c1-2-4-15-12(3-1)9-13(10-18-14-5-6-14)16(19-15)20-8-7-17-11-20/h1-4,7-9,11,14,18H,5-6,10H2
InChIKeyBXZQVQDLFLQBHM-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-imidazol-1-ylquinolin-3-yl)methanamine
CID 28965406
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281437
1-(2-imidazol-1-ylquinolin-3-yl)propan-2-amine
CID 55235840
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
3-[(cyclopropylamino)methyl]-N,N-diethylquinolin-2-amine
CID 43280349
1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
CID 77025110
4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 167842489
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine (CID 43282124) is N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine is c1ccc2nc(-n3ccnc3)c(CNC3CC3)cc2c1.
What is the InChIKey of N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is BXZQVQDLFLQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-4-15-12(3-1)9-13(10-18-14-5-6-14)16(19-15)20-8-7-17-11-20/h1-4,7-9,11,14,18H,5-6,10H2.
What are the key properties of N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine?
N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43282124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).