6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide

C24H27F2N3O2 — CID 142580511

IUPAC6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
SMILESO=C(CCCCCc1ccc2c(c1)CCCN2C(=O)C1(F)CC1)Nc1ccc(F)cn1
InChIInChI=1S/C24H27F2N3O2/c25-19-9-11-21(27-16-19)28-22(30)7-3-1-2-5-17-8-10-20-18(15-17)6-4-14-29(20)23(31)24(26)12-13-24/h8-11,15-16H,1-7,12-14H2,(H,27,28,30)
InChIKeyBPALNZOCFMVBNW-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.74
Rot. Bonds8

About 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide

6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide (PubChem CID 142580511) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide.

Molecular Properties

Compound Name6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
PubChem CID142580511
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
SMILESO=C(CCCCCc1ccc2c(c1)CCCN2C(=O)C1(F)CC1)Nc1ccc(F)cn1
InChIInChI=1S/C24H27F2N3O2/c25-19-9-11-21(27-16-19)28-22(30)7-3-1-2-5-17-8-10-20-18(15-17)6-4-14-29(20)23(31)24(26)12-13-24/h8-11,15-16H,1-7,12-14H2,(H,27,28,30)
InChIKeyBPALNZOCFMVBNW-UHFFFAOYSA-N
XLogP4.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
CID 142580336
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
CID 142580499
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
5-[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]pentanoic acid
CID 95414286
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?
The IUPAC name of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide (CID 142580511) is 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide.
What is the SMILES notation for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?
The canonical SMILES for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide is O=C(CCCCCc1ccc2c(c1)CCCN2C(=O)C1(F)CC1)Nc1ccc(F)cn1.
What is the InChIKey of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?
The InChIKey is BPALNZOCFMVBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-19-9-11-21(27-16-19)28-22(30)7-3-1-2-5-17-8-10-20-18(15-17)6-4-14-29(20)23(31)24(26)12-13-24/h8-11,15-16H,1-7,12-14H2,(H,27,28,30).
What are the key properties of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?
6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide has a molecular weight of 427.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide is sourced from PubChem (CID 142580511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).