N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

C18H18FN3OS — CID 37383630

IUPACN-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCc1cc(F)c2c(c1)CCCN2CCC(=O)Nc1sccc1C#N
InChIInChI=1S/C18H18FN3OS/c1-12-9-13-3-2-6-22(17(13)15(19)10-12)7-4-16(23)21-18-14(11-20)5-8-24-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)
InChIKeyLNPMZHLADNMYGU-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.85
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 37383630) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID37383630
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCc1cc(F)c2c(c1)CCCN2CCC(=O)Nc1sccc1C#N
InChIInChI=1S/C18H18FN3OS/c1-12-9-13-3-2-6-22(17(13)15(19)10-12)7-4-16(23)21-18-14(11-20)5-8-24-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,23)
InChIKeyLNPMZHLADNMYGU-UHFFFAOYSA-N
XLogP3.85
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide with MolForge

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 34009516
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 37383481
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61205508
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787
N-(3-cyanothiophen-2-yl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanamide
CID 24618088
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 37383630) is N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is Cc1cc(F)c2c(c1)CCCN2CCC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is LNPMZHLADNMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12-9-13-3-2-6-22(17(13)15(19)10-12)7-4-16(23)21-18-14(11-20)5-8-24-18/h5,8-10H,2-4,6-7H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 37383630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).