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

C27H29F2N5O2 — CID 167524045

IUPAC1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cc2ccncc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H29F2N5O2/c1-16(35)33-10-6-17(7-11-33)20-12-19-4-3-9-34(24(19)14-21(20)25(28)29)26-22-15-31-8-5-18(22)13-23(32-26)27(36)30-2/h5,8,12-15,17,25H,3-4,6-7,9-11H2,1-2H3,(H,30,36)
InChIKeyQDTTUCACLUHCLK-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.74
Rot. Bonds4

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

1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide (PubChem CID 167524045) has the molecular formula C27H29F2N5O2 and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide
PubChem CID167524045
Molecular FormulaC27H29F2N5O2
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC Name1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cc2ccncc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H29F2N5O2/c1-16(35)33-10-6-17(7-11-33)20-12-19-4-3-9-34(24(19)14-21(20)25(28)29)26-22-15-31-8-5-18(22)13-23(32-26)27(36)30-2/h5,8,12-15,17,25H,3-4,6-7,9-11H2,1-2H3,(H,30,36)
InChIKeyQDTTUCACLUHCLK-UHFFFAOYSA-N
XLogP4.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide (CID 167524045) is 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide is CNC(=O)c1cc2ccncc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1.
What is the InChIKey of 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide?
The InChIKey is QDTTUCACLUHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O2/c1-16(35)33-10-6-17(7-11-33)20-12-19-4-3-9-34(24(19)14-21(20)25(28)29)26-22-15-31-8-5-18(22)13-23(32-26)27(36)30-2/h5,8,12-15,17,25H,3-4,6-7,9-11H2,1-2H3,(H,30,36).
What are the key properties of 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide?
1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 167524045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).