4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile

C15H15N3O — CID 78995631

IUPAC4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C15H15N3O/c16-9-14-11-18(7-8-19-14)10-13-6-5-12-3-1-2-4-15(12)17-13/h1-6,14H,7-8,10-11H2
InChIKeyMGNHIIXEHPUXGP-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.96
Rot. Bonds2

About 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile

4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile (PubChem CID 78995631) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
PubChem CID78995631
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccc3ccccc3n2)CCO1
InChIInChI=1S/C15H15N3O/c16-9-14-11-18(7-8-19-14)10-13-6-5-12-3-1-2-4-15(12)17-13/h1-6,14H,7-8,10-11H2
InChIKeyMGNHIIXEHPUXGP-UHFFFAOYSA-N
XLogP1.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230
(2S)-2-(5-methyl-2-pyridinyl)-4-(quinolin-2-ylmethyl)morpholine
CID 124998096
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
CID 112734300
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile (CID 78995631) is 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile is N#CC1CN(Cc2ccc3ccccc3n2)CCO1.
What is the InChIKey of 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile?
The InChIKey is MGNHIIXEHPUXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-9-14-11-18(7-8-19-14)10-13-6-5-12-3-1-2-4-15(12)17-13/h1-6,14H,7-8,10-11H2.
What are the key properties of 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile?
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78995631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).