4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile

C16H19N3O — CID 140819707

IUPAC4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile
SMILESCOc1nc2ccccc2c(NCC(C)(C)C)c1C#N
InChIInChI=1S/C16H19N3O/c1-16(2,3)10-18-14-11-7-5-6-8-13(11)19-15(20-4)12(14)9-17/h5-8H,10H2,1-4H3,(H,18,19)
InChIKeyPHOKMWSIAMBRMK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.57
Rot. Bonds3

About 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile

4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile (PubChem CID 140819707) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile
PubChem CID140819707
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile
SMILESCOc1nc2ccccc2c(NCC(C)(C)C)c1C#N
InChIInChI=1S/C16H19N3O/c1-16(2,3)10-18-14-11-7-5-6-8-13(11)19-15(20-4)12(14)9-17/h5-8H,10H2,1-4H3,(H,18,19)
InChIKeyPHOKMWSIAMBRMK-UHFFFAOYSA-N
XLogP3.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropylamino)-2-iodoquinoline-3-carbonitrile
CID 140819726
4-(2,2-dimethylpropylamino)-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
CID 140819464
2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
CID 175993712
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
4-(benzylamino)-2-ethylsulfanylquinoline-3-carbonitrile
CID 156777240
2-chloro-4-(methylamino)quinoline-3-carbonitrile
CID 10608831
4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-3-methoxy-N-(3-methoxybenzoyl)benzamide
CID 22273729
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile (CID 140819707) is 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile is COc1nc2ccccc2c(NCC(C)(C)C)c1C#N.
What is the InChIKey of 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile?
The InChIKey is PHOKMWSIAMBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)10-18-14-11-7-5-6-8-13(11)19-15(20-4)12(14)9-17/h5-8H,10H2,1-4H3,(H,18,19).
What are the key properties of 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile?
4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 140819707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).