4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine

C17H18N4 — CID 103963515

IUPAC4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
SMILESCN(C)c1cccc(Nc2c(N)cnc3ccccc23)c1
InChIInChI=1S/C17H18N4/c1-21(2)13-7-5-6-12(10-13)20-17-14-8-3-4-9-16(14)19-11-15(17)18/h3-11H,18H2,1-2H3,(H,19,20)
InChIKeyJWOIMEVDPIRFHK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.63
Rot. Bonds3

About 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine

4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine (PubChem CID 103963515) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
PubChem CID103963515
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
SMILESCN(C)c1cccc(Nc2c(N)cnc3ccccc23)c1
InChIInChI=1S/C17H18N4/c1-21(2)13-7-5-6-12(10-13)20-17-14-8-3-4-9-16(14)19-11-15(17)18/h3-11H,18H2,1-2H3,(H,19,20)
InChIKeyJWOIMEVDPIRFHK-UHFFFAOYSA-N
XLogP3.63
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine (CID 103963515) is 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine is CN(C)c1cccc(Nc2c(N)cnc3ccccc23)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine?
The InChIKey is JWOIMEVDPIRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(2)13-7-5-6-12(10-13)20-17-14-8-3-4-9-16(14)19-11-15(17)18/h3-11H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine?
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine is sourced from PubChem (CID 103963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).