1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C23H30N4O3 — CID 123491649

IUPAC1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(C4COC4)c3)c(OCC3CCNC3)c2CCC1C
InChIInChI=1S/C23H30N4O3/c1-15-3-4-21-22(27(15)16(2)28)6-5-20(23(21)30-12-17-7-8-24-9-17)18-10-25-26(11-18)19-13-29-14-19/h5-6,10-11,15,17,19,24H,3-4,7-9,12-14H2,1-2H3
InChIKeyNAAJKGCXBCMQNI-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 123491649) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID123491649
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(C4COC4)c3)c(OCC3CCNC3)c2CCC1C
InChIInChI=1S/C23H30N4O3/c1-15-3-4-21-22(27(15)16(2)28)6-5-20(23(21)30-12-17-7-8-24-9-17)18-10-25-26(11-18)19-13-29-14-19/h5-6,10-11,15,17,19,24H,3-4,7-9,12-14H2,1-2H3
InChIKeyNAAJKGCXBCMQNI-UHFFFAOYSA-N
XLogP2.80
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123971816
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-pyrrolidin-3-ylethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123537334
methyl (2S)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118086533
1-[(2S)-5-(cyclohexylmethoxy)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118076338
(2S)-5-(azetidin-3-ylmethoxy)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118075470
methyl 6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 123428424
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252
1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-5-[(3-fluorooxetan-3-yl)methoxy]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075883
methyl (2S)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methyl-5-[[(3S)-pyrrolidin-3-yl]methoxy]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118086547
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-1-morpholin-4-ylethanone
CID 118075906
methyl (2S)-2-methyl-5-(oxetan-2-ylmethoxy)-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 151118537
methyl (2S)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-5-[[(3S)-pyrrolidin-3-yl]methoxy]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118086468

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 123491649) is 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnn(C4COC4)c3)c(OCC3CCNC3)c2CCC1C.
What is the InChIKey of 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is NAAJKGCXBCMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15-3-4-21-22(27(15)16(2)28)6-5-20(23(21)30-12-17-7-8-24-9-17)18-10-25-26(11-18)19-13-29-14-19/h5-6,10-11,15,17,19,24H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 410.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 123491649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).