N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide

C17H19N5O — CID 126785822

IUPACN-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
SMILESCN(C)c1ccc2cc(NC(=O)CCc3cnc[nH]3)ccc2n1
InChIInChI=1S/C17H19N5O/c1-22(2)16-7-3-12-9-13(4-6-15(12)21-16)20-17(23)8-5-14-10-18-11-19-14/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyPCNIAUNJPGVJGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide

N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 126785822) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID126785822
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
SMILESCN(C)c1ccc2cc(NC(=O)CCc3cnc[nH]3)ccc2n1
InChIInChI=1S/C17H19N5O/c1-22(2)16-7-3-12-9-13(4-6-15(12)21-16)20-17(23)8-5-14-10-18-11-19-14/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyPCNIAUNJPGVJGO-UHFFFAOYSA-N
XLogP2.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide (CID 126785822) is N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide is CN(C)c1ccc2cc(NC(=O)CCc3cnc[nH]3)ccc2n1.
What is the InChIKey of N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is PCNIAUNJPGVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22(2)16-7-3-12-9-13(4-6-15(12)21-16)20-17(23)8-5-14-10-18-11-19-14/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,18,19)(H,20,23).
What are the key properties of N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide?
N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 126785822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).