6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

C20H16ClFN2O3 — CID 156906499

IUPAC6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCOC1(C(=O)Nc2cncc3ccccc23)CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)
InChIKeyFBLHAFJQTKYFLC-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906499) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
PubChem CID156906499
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC Name6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCOC1(C(=O)Nc2cncc3ccccc23)CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)
InChIKeyFBLHAFJQTKYFLC-UHFFFAOYSA-N
XLogP4.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide with MolForge

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Related Compounds

2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
CID 169408361
MAT-POS-b3e365b9-1
CID 154878592
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906260
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906261
MAT-POS-ec6d90b7-7
CID 156906280
MAT-POS-a5ef2d74-2
CID 156906288
MAT-POS-96f51285-3
CID 156906329
MAT-POS-96f51285-5
CID 156906331
MAT-POS-993cdc78-1
CID 156906347
(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906412
EDJ-MED-611d11e7-12
CID 156906440
(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (CID 156906499) is 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is COC1(C(=O)Nc2cncc3ccccc23)CCOc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The InChIKey is FBLHAFJQTKYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25).
What are the key properties of 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).