1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone

C23H26N4O — CID 129166352

IUPAC1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCC4(CC4)C3)cc2n1
InChIInChI=1S/C23H26N4O/c1-16(28)21-11-20(18-12-24-26(2)14-18)19-5-4-17(10-22(19)25-21)13-27-9-3-6-23(15-27)7-8-23/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3
InChIKeyURISEERRPOEWRI-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.21
Rot. Bonds4

About 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone

1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone (PubChem CID 129166352) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
PubChem CID129166352
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCC4(CC4)C3)cc2n1
InChIInChI=1S/C23H26N4O/c1-16(28)21-11-20(18-12-24-26(2)14-18)19-5-4-17(10-22(19)25-21)13-27-9-3-6-23(15-27)7-8-23/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3
InChIKeyURISEERRPOEWRI-UHFFFAOYSA-N
XLogP4.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-[(2-cyclopropylthiomorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 129166278
1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 129166294
1-[4-(4-fluorophenyl)-7-[[(2S)-2-methylmorpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 129166317
7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 123138405
1-[4-(4-fluorophenyl)-7-[(3-propan-2-ylpiperazin-1-yl)methyl]quinolin-2-yl]ethanone
CID 129166337
1-[7-[[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinolin-2-yl]ethanone
CID 129166345
7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 158805480
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
4-[(9-acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The IUPAC name of 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone (CID 129166352) is 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone.
What is the SMILES notation for 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The canonical SMILES for 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCC4(CC4)C3)cc2n1.
What is the InChIKey of 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The InChIKey is URISEERRPOEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(28)21-11-20(18-12-24-26(2)14-18)19-5-4-17(10-22(19)25-21)13-27-9-3-6-23(15-27)7-8-23/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3.
What are the key properties of 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone has a molecular weight of 374.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone is sourced from PubChem (CID 129166352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).