6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

C20H16F2N2O3 — CID 156906497

IUPAC6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCOC1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc21
InChIInChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)
InChIKeyRMXNRMBUTBCRQX-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.78
Rot. Bonds3

About 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906497) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
PubChem CID156906497
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCOC1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc21
InChIInChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)
InChIKeyRMXNRMBUTBCRQX-UHFFFAOYSA-N
XLogP3.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dichloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
CID 156906656
methyl N-[[6-chloro-4-(isoquinolin-4-ylcarbamoyl)-2,3-dihydrochromen-4-yl]methyl]carbamate
CID 156906323
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906816
6-chloro-N-isoquinolin-4-yl-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-2,3-dihydrochromene-4-carboxamide
CID 156906544
(4R)-6-chloro-4-[[(2-imidazol-1-ylacetyl)amino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 169408272
5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 156907081
6-chloro-4-[[(7-cyano-1-methylimidazo[2,1-e]pyrazol-3-yl)methylamino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906205
6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
CID 156906879
6-chloro-4-[2-[3-(2,2-difluoroethyl)morpholin-4-yl]-2-oxoethyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906572
6-chloro-4-[[[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]methylamino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906184
6-chloro-N-isoquinolin-4-yl-4-[2-oxo-2-(2-pyrazolidin-3-ylpiperidin-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
CID 169423065

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (CID 156906497) is 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is COC1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The InChIKey is RMXNRMBUTBCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25).
What are the key properties of 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).