1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C26H33N5O2S — CID 142286468

IUPAC1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCn1nc(CN2CCCc3cc(C(=O)NCC4CCN(S(C)=O)CC4)ccc32)c2ccccc21
InChIInChI=1S/C26H33N5O2S/c1-29-25-8-4-3-7-22(25)23(28-29)18-30-13-5-6-20-16-21(9-10-24(20)30)26(32)27-17-19-11-14-31(15-12-19)34(2)33/h3-4,7-10,16,19H,5-6,11-15,17-18H2,1-2H3,(H,27,32)
InChIKeyPMPZPILFOLSPSX-UHFFFAOYSA-N
MW479.65 g/mol
LogP3.26
Rot. Bonds6

About 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 142286468) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID142286468
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCn1nc(CN2CCCc3cc(C(=O)NCC4CCN(S(C)=O)CC4)ccc32)c2ccccc21
InChIInChI=1S/C26H33N5O2S/c1-29-25-8-4-3-7-22(25)23(28-29)18-30-13-5-6-20-16-21(9-10-24(20)30)26(32)27-17-19-11-14-31(15-12-19)34(2)33/h3-4,7-10,16,19H,5-6,11-15,17-18H2,1-2H3,(H,27,32)
InChIKeyPMPZPILFOLSPSX-UHFFFAOYSA-N
XLogP3.26
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 142286468) is 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is Cn1nc(CN2CCCc3cc(C(=O)NCC4CCN(S(C)=O)CC4)ccc32)c2ccccc21.
What is the InChIKey of 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is PMPZPILFOLSPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-29-25-8-4-3-7-22(25)23(28-29)18-30-13-5-6-20-16-21(9-10-24(20)30)26(32)27-17-19-11-14-31(15-12-19)34(2)33/h3-4,7-10,16,19H,5-6,11-15,17-18H2,1-2H3,(H,27,32).
What are the key properties of 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylindazol-3-yl)methyl]-N-[(1-methylsulfinylpiperidin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 142286468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).