4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile

C19H19N5O — CID 133365012

IUPAC4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile
SMILESCn1cc(C2(C)CN(c3c(C#N)cnc4ccccc34)CCO2)cn1
InChIInChI=1S/C19H19N5O/c1-19(15-11-22-23(2)12-15)13-24(7-8-25-19)18-14(9-20)10-21-17-6-4-3-5-16(17)18/h3-6,10-12H,7-8,13H2,1-2H3
InChIKeyIXFZTQQJMBDOGC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.59
Rot. Bonds2

About 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile

4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile (PubChem CID 133365012) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile
PubChem CID133365012
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile
SMILESCn1cc(C2(C)CN(c3c(C#N)cnc4ccccc34)CCO2)cn1
InChIInChI=1S/C19H19N5O/c1-19(15-11-22-23(2)12-15)13-24(7-8-25-19)18-14(9-20)10-21-17-6-4-3-5-16(17)18/h3-6,10-12H,7-8,13H2,1-2H3
InChIKeyIXFZTQQJMBDOGC-UHFFFAOYSA-N
XLogP2.59
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]benzonitrile
CID 133365018
2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-nitropyridine-4-carbonitrile
CID 133365025
3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 97090737
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
CID 97226347
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 107392588
2-methyl-2-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
CID 133365158
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
[2-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinolin-3-yl]methanol
CID 133365164
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile (CID 133365012) is 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile is Cn1cc(C2(C)CN(c3c(C#N)cnc4ccccc34)CCO2)cn1.
What is the InChIKey of 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile?
The InChIKey is IXFZTQQJMBDOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-19(15-11-22-23(2)12-15)13-24(7-8-25-19)18-14(9-20)10-21-17-6-4-3-5-16(17)18/h3-6,10-12H,7-8,13H2,1-2H3.
What are the key properties of 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile?
4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133365012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).