3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile

C16H19N5 — CID 142423944

IUPAC3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile
SMILESCNc1cnc2ccc(C#N)cc2c1NC1CCN(C)C1
InChIInChI=1S/C16H19N5/c1-18-15-9-19-14-4-3-11(8-17)7-13(14)16(15)20-12-5-6-21(2)10-12/h3-4,7,9,12,18H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyRRZIIFBLAIRYQN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.26
Rot. Bonds3

About 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile

3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile (PubChem CID 142423944) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile
PubChem CID142423944
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile
SMILESCNc1cnc2ccc(C#N)cc2c1NC1CCN(C)C1
InChIInChI=1S/C16H19N5/c1-18-15-9-19-14-4-3-11(8-17)7-13(14)16(15)20-12-5-6-21(2)10-12/h3-4,7,9,12,18H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyRRZIIFBLAIRYQN-UHFFFAOYSA-N
XLogP2.26
TPSA63.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 123804895
4-[(1-methylpyrrolidin-3-yl)amino]-3-nitrobenzonitrile
CID 47370951
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
2-chloro-N-[6-cyano-4-[[(2R,4R)-2-methyloxan-4-yl]amino]quinolin-3-yl]acetamide
CID 170338197
4-methyl-3-[(1-methylpiperidin-4-yl)amino]benzonitrile
CID 62105197
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]quinoline-6-carbonitrile
CID 142423727
2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423684
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
4-methyl-2-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 55134635
4-[(4-iodocyclohexyl)amino]quinoline-6-carbonitrile
CID 118475363
N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
CID 103964018
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile?
The IUPAC name of 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile (CID 142423944) is 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile.
What is the SMILES notation for 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile?
The canonical SMILES for 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile is CNc1cnc2ccc(C#N)cc2c1NC1CCN(C)C1.
What is the InChIKey of 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile?
The InChIKey is RRZIIFBLAIRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-18-15-9-19-14-4-3-11(8-17)7-13(14)16(15)20-12-5-6-21(2)10-12/h3-4,7,9,12,18H,5-6,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile?
3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[(1-methylpyrrolidin-3-yl)amino]quinoline-6-carbonitrile is sourced from PubChem (CID 142423944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).