8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide

C27H28ClF2N5O2 — CID 167524074

IUPAC8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)cnc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H28ClF2N5O2/c1-15(36)34-8-5-16(6-9-34)20-11-17-4-3-7-35(23(17)13-21(20)25(29)30)26-24-18(10-19(28)14-32-24)12-22(33-26)27(37)31-2/h10-14,16,25H,3-9H2,1-2H3,(H,31,37)
InChIKeyXEZIFKIIDUSCAR-UHFFFAOYSA-N
MW528.00 g/mol
LogP5.39
Rot. Bonds4

About 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide

8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide (PubChem CID 167524074) has the molecular formula C27H28ClF2N5O2 and a molecular weight of 528.00 g/mol. Its IUPAC name is 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide
PubChem CID167524074
Molecular FormulaC27H28ClF2N5O2
Molecular Weight528.00 g/mol
Exact Mass527.19
IUPAC Name8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)cnc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H28ClF2N5O2/c1-15(36)34-8-5-16(6-9-34)20-11-17-4-3-7-35(23(17)13-21(20)25(29)30)26-24-18(10-19(28)14-32-24)12-22(33-26)27(37)31-2/h10-14,16,25H,3-9H2,1-2H3,(H,31,37)
InChIKeyXEZIFKIIDUSCAR-UHFFFAOYSA-N
XLogP5.39
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.00
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide (CID 167524074) is 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide is CNC(=O)c1cc2cc(Cl)cnc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1.
What is the InChIKey of 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is XEZIFKIIDUSCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF2N5O2/c1-15(36)34-8-5-16(6-9-34)20-11-17-4-3-7-35(23(17)13-21(20)25(29)30)26-24-18(10-19(28)14-32-24)12-22(33-26)27(37)31-2/h10-14,16,25H,3-9H2,1-2H3,(H,31,37).
What are the key properties of 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide?
8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 528.00 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-chloro-N-methyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 167524074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).