1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile

C17H16N4 — CID 103203473

IUPAC1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNCc2cccc3cccnc23)cc1C#N
InChIInChI=1S/C17H16N4/c1-21-12-13(8-16(21)9-18)10-19-11-15-5-2-4-14-6-3-7-20-17(14)15/h2-8,12,19H,10-11H2,1H3
InChIKeyFRZCTHFICGPWOA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.73
Rot. Bonds4

About 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile

1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile (PubChem CID 103203473) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
PubChem CID103203473
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNCc2cccc3cccnc23)cc1C#N
InChIInChI=1S/C17H16N4/c1-21-12-13(8-16(21)9-18)10-19-11-15-5-2-4-14-6-3-7-20-17(14)15/h2-8,12,19H,10-11H2,1H3
InChIKeyFRZCTHFICGPWOA-UHFFFAOYSA-N
XLogP2.73
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-ethylphenyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203340
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
4-[[(2-chloro-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202815
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile
CID 136539961
1-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]pyrrole-2-carbonitrile
CID 103203399
1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 62902643
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
4-[(2-bromoprop-2-enylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203579
1-methyl-4-[(2,2,3-trimethylbutylamino)methyl]pyrrole-2-carbonitrile
CID 103527727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile (CID 103203473) is 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile is Cn1cc(CNCc2cccc3cccnc23)cc1C#N.
What is the InChIKey of 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile?
The InChIKey is FRZCTHFICGPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-21-12-13(8-16(21)9-18)10-19-11-15-5-2-4-14-6-3-7-20-17(14)15/h2-8,12,19H,10-11H2,1H3.
What are the key properties of 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile?
1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 103203473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).