2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide

C17H22N4O2 — CID 47033502

IUPAC2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
SMILESCc1ccc(NC(=O)NCCNC(=O)C(C)C)c2cccnc12
InChIInChI=1S/C17H22N4O2/c1-11(2)16(22)19-9-10-20-17(23)21-14-7-6-12(3)15-13(14)5-4-8-18-15/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyQJQFWKHLDNRYPH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.44
Rot. Bonds5

About 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide

2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide (PubChem CID 47033502) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
PubChem CID47033502
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
SMILESCc1ccc(NC(=O)NCCNC(=O)C(C)C)c2cccnc12
InChIInChI=1S/C17H22N4O2/c1-11(2)16(22)19-9-10-20-17(23)21-14-7-6-12(3)15-13(14)5-4-8-18-15/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyQJQFWKHLDNRYPH-UHFFFAOYSA-N
XLogP2.44
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
CID 94669801
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
N-(8-methylquinolin-5-yl)-2-naphthalen-2-ylacetamide
CID 38280575
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide (CID 47033502) is 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide is Cc1ccc(NC(=O)NCCNC(=O)C(C)C)c2cccnc12.
What is the InChIKey of 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide?
The InChIKey is QJQFWKHLDNRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)16(22)19-9-10-20-17(23)21-14-7-6-12(3)15-13(14)5-4-8-18-15/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide?
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide is sourced from PubChem (CID 47033502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).