7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine

C28H28N6 — CID 164610927

IUPAC7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCc1cccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)c1
InChIInChI=1S/C28H28N6/c1-20-5-4-6-22(15-20)27-17-24(9-11-29-27)32-26-10-12-30-28-16-21(7-8-25(26)28)23-18-31-34(19-23)14-13-33(2)3/h4-12,15-19H,13-14H2,1-3H3,(H,29,30,32)
InChIKeyVICAQGVISLDXME-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.77
Rot. Bonds7

About 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine

7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 164610927) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
PubChem CID164610927
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCc1cccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)c1
InChIInChI=1S/C28H28N6/c1-20-5-4-6-22(15-20)27-17-24(9-11-29-27)32-26-10-12-30-28-16-21(7-8-25(26)28)23-18-31-34(19-23)14-13-33(2)3/h4-12,15-19H,13-14H2,1-3H3,(H,29,30,32)
InChIKeyVICAQGVISLDXME-UHFFFAOYSA-N
XLogP5.77
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine with MolForge

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Related Compounds

Ly-364947
CID 447966
N-3-Pyridinyl-9-acridinamine
CID 53313
Ucl1848
CID 9811445
A-83-01
CID 16218924
3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium
CID 5289508
Quinoprazine
CID 159481
6-Phenyl-5-[5-[3-[2-(1,2,3,4-Tetrahydroacridin-9-Ylamino)ethyl]-1,2,3-Triazol-4-Yl]pentyl]phenanthridin-5-Ium-3,8-Diamine
CID 11193070
1,6-Hexanediamine, N,N'-di-4-quinolinyl-
CID 151778
1,8-Octanediamine, N,N'-di-4-quinolinyl-
CID 151780
6,10-Diaza-1,5(1,4)-diquinolin-1-iuma-3(1,3),8(1,4)-dibenzenacyclodecaphane-11,51-diium
CID 656733
2-methyl-N-(2-(piperidin-1-yl)ethyl)benzo[h]quinolin-4-amine
CID 709466
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine (CID 164610927) is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine is Cc1cccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)c1.
What is the InChIKey of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is VICAQGVISLDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-20-5-4-6-22(15-20)27-17-24(9-11-29-27)32-26-10-12-30-28-16-21(7-8-25(26)28)23-18-31-34(19-23)14-13-33(2)3/h4-12,15-19H,13-14H2,1-3H3,(H,29,30,32).
What are the key properties of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine?
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 448.57 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 164610927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).