6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile

C20H18ClFN4 — CID 133304489

IUPAC6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
SMILESCN(C)Cc1cc(CNc2cc(C#N)c3cc(Cl)ccc3n2)ccc1F
InChIInChI=1S/C20H18ClFN4/c1-26(2)12-15-7-13(3-5-18(15)22)11-24-20-8-14(10-23)17-9-16(21)4-6-19(17)25-20/h3-9H,11-12H2,1-2H3,(H,24,25)
InChIKeyAOGVURNRQGNWGX-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.57
Rot. Bonds5

About 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile

6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile (PubChem CID 133304489) has the molecular formula C20H18ClFN4 and a molecular weight of 368.84 g/mol. Its IUPAC name is 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
PubChem CID133304489
Molecular FormulaC20H18ClFN4
Molecular Weight368.84 g/mol
Exact Mass368.12
IUPAC Name6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
SMILESCN(C)Cc1cc(CNc2cc(C#N)c3cc(Cl)ccc3n2)ccc1F
InChIInChI=1S/C20H18ClFN4/c1-26(2)12-15-7-13(3-5-18(15)22)11-24-20-8-14(10-23)17-9-16(21)4-6-19(17)25-20/h3-9H,11-12H2,1-2H3,(H,24,25)
InChIKeyAOGVURNRQGNWGX-UHFFFAOYSA-N
XLogP4.57
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
6-chloro-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-4-carbonitrile
CID 133309480
6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133314857
2-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methylamino]-6-nitroquinoline-4-carbonitrile
CID 133320536
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
4-chloro-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-nitroaniline
CID 133314887
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
CID 91643069
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile (CID 133304489) is 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile is CN(C)Cc1cc(CNc2cc(C#N)c3cc(Cl)ccc3n2)ccc1F.
What is the InChIKey of 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile?
The InChIKey is AOGVURNRQGNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4/c1-26(2)12-15-7-13(3-5-18(15)22)11-24-20-8-14(10-23)17-9-16(21)4-6-19(17)25-20/h3-9H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile?
6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile has a molecular weight of 368.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 133304489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).