N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide

C14H17N3O — CID 63228938

IUPACN-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCNC(=O)CCNc1nc2ccccc2cc1C
InChIInChI=1S/C14H17N3O/c1-10-9-11-5-3-4-6-12(11)17-14(10)16-8-7-13(18)15-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMRBGRZZFDPLTOX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide

N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide (PubChem CID 63228938) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
PubChem CID63228938
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCNC(=O)CCNc1nc2ccccc2cc1C
InChIInChI=1S/C14H17N3O/c1-10-9-11-5-3-4-6-12(11)17-14(10)16-8-7-13(18)15-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMRBGRZZFDPLTOX-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
(3-methylquinolin-2-yl)urea
CID 141055729
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
2-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
CID 110026466
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
CID 71968315

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide (CID 63228938) is N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide is CNC(=O)CCNc1nc2ccccc2cc1C.
What is the InChIKey of N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The InChIKey is MRBGRZZFDPLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-11-5-3-4-6-12(11)17-14(10)16-8-7-13(18)15-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide is sourced from PubChem (CID 63228938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).