4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile

C14H13N3 — CID 113485505

IUPAC4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
SMILESCC1(Nc2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C14H13N3/c1-14(6-7-14)17-13-10(8-15)9-16-12-5-3-2-4-11(12)13/h2-5,9H,6-7H2,1H3,(H,16,17)
InChIKeyLKOOSBUPKVVEBN-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.07
Rot. Bonds2

About 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile

4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile (PubChem CID 113485505) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
PubChem CID113485505
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
SMILESCC1(Nc2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C14H13N3/c1-14(6-7-14)17-13-10(8-15)9-16-12-5-3-2-4-11(12)13/h2-5,9H,6-7H2,1H3,(H,16,17)
InChIKeyLKOOSBUPKVVEBN-UHFFFAOYSA-N
XLogP3.07
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[(2-methylthiolan-2-yl)methylamino]quinoline-3-carbonitrile
CID 80527822
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-N-(1-methylcyclobutyl)quinoline-3,4-diamine
CID 113485310
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile (CID 113485505) is 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile is CC1(Nc2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile?
The InChIKey is LKOOSBUPKVVEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-14(6-7-14)17-13-10(8-15)9-16-12-5-3-2-4-11(12)13/h2-5,9H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile?
4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 113485505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).