N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C24H22N4O3 — CID 19512652

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1
InChIInChI=1S/C24H22N4O3/c1-14-23(15(2)28(3)27-14)20-13-18(17-6-4-5-7-19(17)26-20)24(29)25-16-8-9-21-22(12-16)31-11-10-30-21/h4-9,12-13H,10-11H2,1-3H3,(H,25,29)
InChIKeyGPUCSJVTCWOPJN-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.28
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512652) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512652
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1
InChIInChI=1S/C24H22N4O3/c1-14-23(15(2)28(3)27-14)20-13-18(17-6-4-5-7-19(17)26-20)24(29)25-16-8-9-21-22(12-16)31-11-10-30-21/h4-9,12-13H,10-11H2,1-3H3,(H,25,29)
InChIKeyGPUCSJVTCWOPJN-UHFFFAOYSA-N
XLogP4.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1000925
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512734
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512746
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512890
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512652) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is GPUCSJVTCWOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-23(15(2)28(3)27-14)20-13-18(17-6-4-5-7-19(17)26-20)24(29)25-16-8-9-21-22(12-16)31-11-10-30-21/h4-9,12-13H,10-11H2,1-3H3,(H,25,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).