(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone

C19H18N4O — CID 127246089

IUPAC(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C19H18N4O/c24-19(16-7-1-4-14-5-2-8-22-18(14)16)23-11-3-6-15(13-23)17-12-20-9-10-21-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2
InChIKeyPUFWPBBUONVLSW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.04
Rot. Bonds2

About (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone

(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone (PubChem CID 127246089) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone
PubChem CID127246089
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C19H18N4O/c24-19(16-7-1-4-14-5-2-8-22-18(14)16)23-11-3-6-15(13-23)17-12-20-9-10-21-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2
InChIKeyPUFWPBBUONVLSW-UHFFFAOYSA-N
XLogP3.04
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
4-[1-(quinoline-8-carbonyl)piperidin-3-yl]benzoic acid
CID 72854481
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943

Frequently Asked Questions

What is the IUPAC name of (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone?
The IUPAC name of (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone (CID 127246089) is (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CCCC(c2cnccn2)C1.
What is the InChIKey of (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone?
The InChIKey is PUFWPBBUONVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(16-7-1-4-14-5-2-8-22-18(14)16)23-11-3-6-15(13-23)17-12-20-9-10-21-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2.
What are the key properties of (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone?
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone has a molecular weight of 318.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 127246089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).