N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide

C24H20FN3O3 — CID 175615132

IUPACN-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide
SMILESCc1cc2c(=O)[nH]c3c(c2cc1F)C(N(C)C(=O)c1ccc2cccnc2c1)COC3
InChIInChI=1S/C24H20FN3O3/c1-13-8-17-16(10-18(13)25)22-20(27-23(17)29)11-31-12-21(22)28(2)24(30)15-6-5-14-4-3-7-26-19(14)9-15/h3-10,21H,11-12H2,1-2H3,(H,27,29)
InChIKeyQYWFICQRZHUTPD-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.87
Rot. Bonds2

About N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide

N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide (PubChem CID 175615132) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide
PubChem CID175615132
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide
SMILESCc1cc2c(=O)[nH]c3c(c2cc1F)C(N(C)C(=O)c1ccc2cccnc2c1)COC3
InChIInChI=1S/C24H20FN3O3/c1-13-8-17-16(10-18(13)25)22-20(27-23(17)29)11-31-12-21(22)28(2)24(30)15-6-5-14-4-3-7-26-19(14)9-15/h3-10,21H,11-12H2,1-2H3,(H,27,29)
InChIKeyQYWFICQRZHUTPD-UHFFFAOYSA-N
XLogP3.87
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide?
The IUPAC name of N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide (CID 175615132) is N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide.
What is the SMILES notation for N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide?
The canonical SMILES for N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide is Cc1cc2c(=O)[nH]c3c(c2cc1F)C(N(C)C(=O)c1ccc2cccnc2c1)COC3.
What is the InChIKey of N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide?
The InChIKey is QYWFICQRZHUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-13-8-17-16(10-18(13)25)22-20(27-23(17)29)11-31-12-21(22)28(2)24(30)15-6-5-14-4-3-7-26-19(14)9-15/h3-10,21H,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide?
N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-fluoro-8-methyl-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 175615132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).