4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile

C17H18N4O — CID 157040896

IUPAC4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile
SMILESCOc1cccc2c(N3CC4(CCNC4)C3)c(C#N)cnc12
InChIInChI=1S/C17H18N4O/c1-22-14-4-2-3-13-15(14)20-8-12(7-18)16(13)21-10-17(11-21)5-6-19-9-17/h2-4,8,19H,5-6,9-11H2,1H3
InChIKeyNBSVPIGNXOBWOQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.91
Rot. Bonds2

About 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile

4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile (PubChem CID 157040896) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile
PubChem CID157040896
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile
SMILESCOc1cccc2c(N3CC4(CCNC4)C3)c(C#N)cnc12
InChIInChI=1S/C17H18N4O/c1-22-14-4-2-3-13-15(14)20-8-12(7-18)16(13)21-10-17(11-21)5-6-19-9-17/h2-4,8,19H,5-6,9-11H2,1H3
InChIKeyNBSVPIGNXOBWOQ-UHFFFAOYSA-N
XLogP1.91
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
CID 157041023
4-[4-[(cyclopropylsulfonimidoyl)methyl]piperidin-1-yl]-8-methoxyquinoline-3-carbonitrile
CID 166562128
[1-[8-(3-cyano-8-methoxyquinolin-4-yl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]cyclobutyl]methylboronic acid
CID 176556638
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
8-methoxy-4-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 39732432
4-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-6,8-dimethoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-7-methoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-8-methoxyquinoline-3-carbonitrile
CID 167543050
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 107392588
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-(3-cyano-8-methoxyquinolin-4-yl)oxy-N-hydroxybenzamide
CID 172515919

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile (CID 157040896) is 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile is COc1cccc2c(N3CC4(CCNC4)C3)c(C#N)cnc12.
What is the InChIKey of 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile?
The InChIKey is NBSVPIGNXOBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-14-4-2-3-13-15(14)20-8-12(7-18)16(13)21-10-17(11-21)5-6-19-9-17/h2-4,8,19H,5-6,9-11H2,1H3.
What are the key properties of 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile?
4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 157040896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).