3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide

C19H17N5O — CID 173209734

IUPAC3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide
SMILESCN(C)c1cccc(Nc2c(C#N)c(C(N)=O)nc3ccccc23)c1
InChIInChI=1S/C19H17N5O/c1-24(2)13-7-5-6-12(10-13)22-17-14-8-3-4-9-16(14)23-18(19(21)25)15(17)11-20/h3-10H,1-2H3,(H2,21,25)(H,22,23)
InChIKeyCWLLJCKBSFIFFC-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.01
Rot. Bonds4

About 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide

3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide (PubChem CID 173209734) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide
PubChem CID173209734
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide
SMILESCN(C)c1cccc(Nc2c(C#N)c(C(N)=O)nc3ccccc23)c1
InChIInChI=1S/C19H17N5O/c1-24(2)13-7-5-6-12(10-13)22-17-14-8-3-4-9-16(14)23-18(19(21)25)15(17)11-20/h3-10H,1-2H3,(H2,21,25)(H,22,23)
InChIKeyCWLLJCKBSFIFFC-UHFFFAOYSA-N
XLogP3.01
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
N-[3-cyano-4-[3-(dimethylamino)anilino]quinolin-6-yl]prop-2-enamide
CID 22466730
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 10827600
3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
CID 113297690
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
CID 113297957
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
4-(3-chloro-4-fluoroanilino)-3-cyano-6-[4-(dimethylamino)-1-oxobut-2-en-2-yl]-7-ethoxyquinoline-2-carboxamide
CID 173194542
[3-(dimethylamino)phenyl]cyanamide
CID 115377794
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
CID 50944573

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide?
The IUPAC name of 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide (CID 173209734) is 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide.
What is the SMILES notation for 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide?
The canonical SMILES for 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide is CN(C)c1cccc(Nc2c(C#N)c(C(N)=O)nc3ccccc23)c1.
What is the InChIKey of 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide?
The InChIKey is CWLLJCKBSFIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24(2)13-7-5-6-12(10-13)22-17-14-8-3-4-9-16(14)23-18(19(21)25)15(17)11-20/h3-10H,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide?
3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[3-(dimethylamino)anilino]quinoline-2-carboxamide is sourced from PubChem (CID 173209734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).