(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide

C16H21N3O — CID 126448649

IUPAC(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C
InChIInChI=1S/C16H21N3O/c1-11-7-8-15-13(6-5-9-17-15)14(11)10-18-16(20)12(2)19(3)4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyNERTWRKKOZHLDT-LBPRGKRZSA-N
MW271.36 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide

(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide (PubChem CID 126448649) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
PubChem CID126448649
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C
InChIInChI=1S/C16H21N3O/c1-11-7-8-15-13(6-5-9-17-15)14(11)10-18-16(20)12(2)19(3)4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyNERTWRKKOZHLDT-LBPRGKRZSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 125178048
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
CID 77093980
1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72888668
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine
CID 91769249
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
CID 177323312
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide
CID 130619252
2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
CID 91837165
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide (CID 126448649) is (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide is Cc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The InChIKey is NERTWRKKOZHLDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-7-8-15-13(6-5-9-17-15)14(11)10-18-16(20)12(2)19(3)4/h5-9,12H,10H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide?
(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide is sourced from PubChem (CID 126448649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).