(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone

C19H18N4O — CID 97015667

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccc3)nc2)c2ccccc21
InChIInChI=1S/C19H18N4O/c1-21-12-13-23(17-7-3-2-6-16(17)21)19(24)15-8-9-18(20-14-15)22-10-4-5-11-22/h2-11,14H,12-13H2,1H3
InChIKeyJJZLKJKLIIRSCN-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.97
Rot. Bonds2

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone (PubChem CID 97015667) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
PubChem CID97015667
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccc3)nc2)c2ccccc21
InChIInChI=1S/C19H18N4O/c1-21-12-13-23(17-7-3-2-6-16(17)21)19(24)15-8-9-18(20-14-15)22-10-4-5-11-22/h2-11,14H,12-13H2,1H3
InChIKeyJJZLKJKLIIRSCN-UHFFFAOYSA-N
XLogP2.97
TPSA41.37 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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
1-[4-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155110
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 136532225
6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 63778256
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone (CID 97015667) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone is CN1CCN(C(=O)c2ccc(-n3cccc3)nc2)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The InChIKey is JJZLKJKLIIRSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-21-12-13-23(17-7-3-2-6-16(17)21)19(24)15-8-9-18(20-14-15)22-10-4-5-11-22/h2-11,14H,12-13H2,1H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone has a molecular weight of 318.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 97015667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).