2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide

C14H14N4O — CID 43668990

IUPAC2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H14N4O/c1-18(2)13(19)9-17-14-10(7-15)8-16-12-6-4-3-5-11(12)14/h3-6,8H,9H2,1-2H3,(H,16,17)
InChIKeyPVOLVUBJSMUREE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.61
Rot. Bonds3

About 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide

2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 43668990) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID43668990
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H14N4O/c1-18(2)13(19)9-17-14-10(7-15)8-16-12-6-4-3-5-11(12)14/h3-6,8H,9H2,1-2H3,(H,16,17)
InChIKeyPVOLVUBJSMUREE-UHFFFAOYSA-N
XLogP1.61
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

UR-12460
CID 9889404
4-Piperazin-1-yl-quinoline
CID 1534386
2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
N-quinolin-8-ylpropanamide
CID 2963713
4-(2-Aminoethyl)aminoquinoline
CID 10821443
N-(quinolin-6-yl)acetamide
CID 31176
N-8-Quinolinylacetamide
CID 36591
5-Acetylaminoquinoline
CID 162518
3-Acetylaminoquinoline
CID 79448

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide (CID 43668990) is 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is PVOLVUBJSMUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(2)13(19)9-17-14-10(7-15)8-16-12-6-4-3-5-11(12)14/h3-6,8H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide?
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 254.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43668990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).