N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide

C16H21N3O — CID 62954985

IUPACN-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
SMILESCc1ccc2cccc(NC(=O)CCNC(C)C)c2n1
InChIInChI=1S/C16H21N3O/c1-11(2)17-10-9-15(20)19-14-6-4-5-13-8-7-12(3)18-16(13)14/h4-8,11,17H,9-10H2,1-3H3,(H,19,20)
InChIKeyMBGQOGDUQLLSOO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds5

About N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide

N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 62954985) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
PubChem CID62954985
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
SMILESCc1ccc2cccc(NC(=O)CCNC(C)C)c2n1
InChIInChI=1S/C16H21N3O/c1-11(2)17-10-9-15(20)19-14-6-4-5-13-8-7-12(3)18-16(13)14/h4-8,11,17H,9-10H2,1-3H3,(H,19,20)
InChIKeyMBGQOGDUQLLSOO-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
2-[2-[(2-methylquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 62954623
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide (CID 62954985) is N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide is Cc1ccc2cccc(NC(=O)CCNC(C)C)c2n1.
What is the InChIKey of N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is MBGQOGDUQLLSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)17-10-9-15(20)19-14-6-4-5-13-8-7-12(3)18-16(13)14/h4-8,11,17H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide?
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62954985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).