6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile

C18H18N4O2 — CID 139469208

IUPAC6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile
SMILESCCCOc1c(C#N)c(N2C=CNC=C2)nc2ccc(OC)cc12
InChIInChI=1S/C18H18N4O2/c1-3-10-24-17-14-11-13(23-2)4-5-16(14)21-18(15(17)12-19)22-8-6-20-7-9-22/h4-9,11,20H,3,10H2,1-2H3
InChIKeyYJULMLZFACMQOI-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.26
Rot. Bonds5

About 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile

6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile (PubChem CID 139469208) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile
PubChem CID139469208
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile
SMILESCCCOc1c(C#N)c(N2C=CNC=C2)nc2ccc(OC)cc12
InChIInChI=1S/C18H18N4O2/c1-3-10-24-17-14-11-13(23-2)4-5-16(14)21-18(15(17)12-19)22-8-6-20-7-9-22/h4-9,11,20H,3,10H2,1-2H3
InChIKeyYJULMLZFACMQOI-UHFFFAOYSA-N
XLogP3.26
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
(4-butoxy-6-methoxy-3-methylquinolin-2-yl)methanol
CID 70839350
3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
CID 176958580
6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
CID 68764618
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872
1,4-dibutoxyanthracene-2,3-dicarbonitrile
CID 118040405
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
2-butoxy-5-methoxy-1-benzothiophene-3-carbonitrile
CID 102585380
2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
CID 165085209
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82452014
2-ethyl-5-methoxy-1H-indole-3-carbonitrile
CID 84669470
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile (CID 139469208) is 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile is CCCOc1c(C#N)c(N2C=CNC=C2)nc2ccc(OC)cc12.
What is the InChIKey of 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile?
The InChIKey is YJULMLZFACMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-10-24-17-14-11-13(23-2)4-5-16(14)21-18(15(17)12-19)22-8-6-20-7-9-22/h4-9,11,20H,3,10H2,1-2H3.
What are the key properties of 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile?
6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 139469208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).