N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

C20H17ClFN3O — CID 133298183

IUPACN-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2
InChIInChI=1S/C20H17ClFN3O/c1-12(26)24-17-4-2-3-13-11-25(10-8-14(13)17)18-6-5-15-16(21)7-9-23-20(15)19(18)22/h2-7,9H,8,10-11H2,1H3,(H,24,26)
InChIKeyRCIHHWXYROGCPN-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.55
Rot. Bonds2

About N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (PubChem CID 133298183) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
PubChem CID133298183
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2
InChIInChI=1S/C20H17ClFN3O/c1-12(26)24-17-4-2-3-13-11-25(10-8-14(13)17)18-6-5-15-16(21)7-9-23-20(15)19(18)22/h2-7,9H,8,10-11H2,1H3,(H,24,26)
InChIKeyRCIHHWXYROGCPN-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325047
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47059562
N-[2-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133298184
methyl 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 51124758
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
1-[4-(4-chloro-8-fluoroquinolin-7-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133355092
10-(4-chloro-8-fluoroquinolin-7-yl)-7-oxa-3λ6-thia-10-azaspiro[5.6]dodecane 3,3-dioxide
CID 166278989
1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
CID 133297883
1-(4-chloro-8-fluoroquinolin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453904
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
1-[2-(4-methylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 133309464

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The IUPAC name of N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (CID 133298183) is N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2.
What is the InChIKey of N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The InChIKey is RCIHHWXYROGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-12(26)24-17-4-2-3-13-11-25(10-8-14(13)17)18-6-5-15-16(21)7-9-23-20(15)19(18)22/h2-7,9H,8,10-11H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide has a molecular weight of 369.83 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is sourced from PubChem (CID 133298183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).