8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline

C18H19N3 — CID 18154508

IUPAC8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline
SMILESCC1c2cccn2CCN1Cc1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-14-17-8-4-10-20(17)11-12-21(14)13-16-6-2-5-15-7-3-9-19-18(15)16/h2-10,14H,11-13H2,1H3
InChIKeyROJNKZVFFNEJDR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.61
Rot. Bonds2

About 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline

8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline (PubChem CID 18154508) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline
PubChem CID18154508
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline
SMILESCC1c2cccn2CCN1Cc1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-14-17-8-4-10-20(17)11-12-21(14)13-16-6-2-5-15-7-3-9-19-18(15)16/h2-10,14H,11-13H2,1H3
InChIKeyROJNKZVFFNEJDR-UHFFFAOYSA-N
XLogP3.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579777
(1S)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579774
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
(2R,5R)-2,5-dimethyl-4-(quinolin-8-ylmethyl)morpholine
CID 94062962
1-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 47010830
N-methyl-1-[4-(quinolin-8-ylmethyl)morpholin-3-yl]methanamine
CID 83099652
8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
CID 64845277
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
2-(bromomethyl)-5-methyl-4-(quinolin-8-ylmethyl)morpholine
CID 81210741
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66209459

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline?
The IUPAC name of 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline (CID 18154508) is 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline.
What is the SMILES notation for 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline?
The canonical SMILES for 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline is CC1c2cccn2CCN1Cc1cccc2cccnc12.
What is the InChIKey of 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline?
The InChIKey is ROJNKZVFFNEJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-17-8-4-10-20(17)11-12-21(14)13-16-6-2-5-15-7-3-9-19-18(15)16/h2-10,14H,11-13H2,1H3.
What are the key properties of 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline?
8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline has a molecular weight of 277.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]quinoline is sourced from PubChem (CID 18154508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).