N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide

C18H19N3O2S — CID 73056775

IUPACN-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide
SMILESCOc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
InChIInChI=1S/C18H19N3O2S/c1-11-9-14(19)13-10-12(3-4-15(13)20-11)21-18(22)6-5-17-16(23-2)7-8-24-17/h3-4,7-10H,5-6H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyHFSAYBUCPISHDM-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.77
Rot. Bonds5

About N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide

N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide (PubChem CID 73056775) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide
PubChem CID73056775
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide
SMILESCOc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
InChIInChI=1S/C18H19N3O2S/c1-11-9-14(19)13-10-12(3-4-15(13)20-11)21-18(22)6-5-17-16(23-2)7-8-24-17/h3-4,7-10H,5-6H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyHFSAYBUCPISHDM-UHFFFAOYSA-N
XLogP3.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-3-(2-ethoxyphenyl)propanamide
CID 73056477
N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 73056183
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
N-(4-methoxy-2-methylquinolin-6-yl)-2-[2-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-oxoethoxy]acetamide
CID 44533592
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
CID 73055604
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122287135
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
CID 59334180

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide (CID 73056775) is N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide is COc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide?
The InChIKey is HFSAYBUCPISHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-9-14(19)13-10-12(3-4-15(13)20-11)21-18(22)6-5-17-16(23-2)7-8-24-17/h3-4,7-10H,5-6H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide?
N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-3-(3-methoxythiophen-2-yl)propanamide is sourced from PubChem (CID 73056775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).