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

C20H16F2N2O3 — CID 156906412

IUPAC(4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCO[C@@]1(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)/t20-/m0/s1
InChIKeyRMXNRMBUTBCRQX-FQEVSTJZSA-N
MW370.36 g/mol
LogP3.78
Rot. Bonds3

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

(4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906412) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
PubChem CID156906412
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name(4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCO[C@@]1(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)/t20-/m0/s1
InChIKeyRMXNRMBUTBCRQX-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (CID 156906412) is (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc21.
What is the InChIKey of (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The InChIKey is RMXNRMBUTBCRQX-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
(4S)-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 (4S)-6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).