N-propyl-2-(quinolin-6-ylmethylamino)propanamide

C16H21N3O — CID 60659073

IUPACN-propyl-2-(quinolin-6-ylmethylamino)propanamide
SMILESCCCNC(=O)C(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)12(2)19-11-13-6-7-15-14(10-13)5-4-9-17-15/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,18,20)
InChIKeyRUXREDZPROBJKR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds6

About N-propyl-2-(quinolin-6-ylmethylamino)propanamide

N-propyl-2-(quinolin-6-ylmethylamino)propanamide (PubChem CID 60659073) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-propyl-2-(quinolin-6-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-propyl-2-(quinolin-6-ylmethylamino)propanamide
PubChem CID60659073
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-propyl-2-(quinolin-6-ylmethylamino)propanamide
SMILESCCCNC(=O)C(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)12(2)19-11-13-6-7-15-14(10-13)5-4-9-17-15/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,18,20)
InChIKeyRUXREDZPROBJKR-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
2-[[3-(N'-hydroxycarbamimidoyl)phenyl]methylamino]-N-propylpropanamide
CID 77030886
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(quinolin-6-ylmethylamino)propanamide?
The IUPAC name of N-propyl-2-(quinolin-6-ylmethylamino)propanamide (CID 60659073) is N-propyl-2-(quinolin-6-ylmethylamino)propanamide.
What is the SMILES notation for N-propyl-2-(quinolin-6-ylmethylamino)propanamide?
The canonical SMILES for N-propyl-2-(quinolin-6-ylmethylamino)propanamide is CCCNC(=O)C(C)NCc1ccc2ncccc2c1.
What is the InChIKey of N-propyl-2-(quinolin-6-ylmethylamino)propanamide?
The InChIKey is RUXREDZPROBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-18-16(20)12(2)19-11-13-6-7-15-14(10-13)5-4-9-17-15/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-propyl-2-(quinolin-6-ylmethylamino)propanamide?
N-propyl-2-(quinolin-6-ylmethylamino)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(quinolin-6-ylmethylamino)propanamide is sourced from PubChem (CID 60659073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).