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

C17H15F2N3OS — CID 34009516

IUPACN-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C17H15F2N3OS/c18-13-8-11-2-1-5-22(16(11)14(19)9-13)6-3-15(23)21-17-12(10-20)4-7-24-17/h4,7-9H,1-3,5-6H2,(H,21,23)
InChIKeySJFFEWGJHOHKID-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.68
Rot. Bonds4

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

N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 34009516) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID34009516
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C17H15F2N3OS/c18-13-8-11-2-1-5-22(16(11)14(19)9-13)6-3-15(23)21-17-12(10-20)4-7-24-17/h4,7-9H,1-3,5-6H2,(H,21,23)
InChIKeySJFFEWGJHOHKID-UHFFFAOYSA-N
XLogP3.68
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 37383630
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N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
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N-(3-cyanothiophen-2-yl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanamide
CID 24618088
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
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CID 61205508
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065929
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 34009516) is N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide is N#Cc1ccsc1NC(=O)CCN1CCCc2cc(F)cc(F)c21.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is SJFFEWGJHOHKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c18-13-8-11-2-1-5-22(16(11)14(19)9-13)6-3-15(23)21-17-12(10-20)4-7-24-17/h4,7-9H,1-3,5-6H2,(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide?
N-(3-cyanothiophen-2-yl)-3-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 347.39 g/mol, XLogP of 3.68, 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-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 34009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).