2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile

C16H15N3O3 — CID 177077639

IUPAC2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
SMILESCOc1cc(C#N)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-21-15-9-12(10-17)13-8-11(2-3-14(13)18-15)16(20)19-4-6-22-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyXZIFEZIYRFMQGZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.59
Rot. Bonds2

About 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile (PubChem CID 177077639) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
PubChem CID177077639
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
SMILESCOc1cc(C#N)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H15N3O3/c1-21-15-9-12(10-17)13-8-11(2-3-14(13)18-15)16(20)19-4-6-22-7-5-19/h2-3,8-9H,4-7H2,1H3
InChIKeyXZIFEZIYRFMQGZ-UHFFFAOYSA-N
XLogP1.59
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
CID 177077621
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile?
The IUPAC name of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile (CID 177077639) is 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile?
The canonical SMILES for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile is COc1cc(C#N)c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile?
The InChIKey is XZIFEZIYRFMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-15-9-12(10-17)13-8-11(2-3-14(13)18-15)16(20)19-4-6-22-7-5-19/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile?
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile has a molecular weight of 297.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile is sourced from PubChem (CID 177077639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).