N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide

C22H23FN2O2 — CID 110623188

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C22H23FN2O2/c23-18-8-3-15(4-9-18)5-12-21(26)24-19-10-11-20-17(14-19)2-1-13-25(20)22(27)16-6-7-16/h3-4,8-11,14,16H,1-2,5-7,12-13H2,(H,24,26)
InChIKeyNBODXPNRTCMDRM-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 110623188) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
PubChem CID110623188
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C22H23FN2O2/c23-18-8-3-15(4-9-18)5-12-21(26)24-19-10-11-20-17(14-19)2-1-13-25(20)22(27)16-6-7-16/h3-4,8-11,14,16H,1-2,5-7,12-13H2,(H,24,26)
InChIKeyNBODXPNRTCMDRM-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
3-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 110623348
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
CID 7279097
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110303950
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 7657138

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide (CID 110623188) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is NBODXPNRTCMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-8-3-15(4-9-18)5-12-21(26)24-19-10-11-20-17(14-19)2-1-13-25(20)22(27)16-6-7-16/h3-4,8-11,14,16H,1-2,5-7,12-13H2,(H,24,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110623188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).