4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile

C16H17N3 — CID 62861012

IUPAC4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
SMILESCN(CC1CCC1)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H17N3/c1-19(11-12-5-4-6-12)16-13(9-17)10-18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,11H2,1H3
InChIKeyLHVRSXWOJCVFPD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.34
Rot. Bonds3

About 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile

4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile (PubChem CID 62861012) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
PubChem CID62861012
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
SMILESCN(CC1CCC1)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H17N3/c1-19(11-12-5-4-6-12)16-13(9-17)10-18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,11H2,1H3
InChIKeyLHVRSXWOJCVFPD-UHFFFAOYSA-N
XLogP3.34
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524
4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 61446942
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
CID 66184340
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
3-chloro-2-[cyclobutylmethyl(methyl)amino]benzonitrile
CID 133322090
4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133319158
4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile (CID 62861012) is 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile is CN(CC1CCC1)c1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile?
The InChIKey is LHVRSXWOJCVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19(11-12-5-4-6-12)16-13(9-17)10-18-15-8-3-2-7-14(15)16/h2-3,7-8,10,12H,4-6,11H2,1H3.
What are the key properties of 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile?
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 62861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).