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

C30H32N6 — CID 164626794

IUPAC7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCC(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1
InChIInChI=1S/C30H32N6/c1-21(2)22-5-7-23(8-6-22)29-18-26(11-13-31-29)34-28-12-14-32-30-17-24(9-10-27(28)30)25-19-33-36(20-25)16-15-35(3)4/h5-14,17-21H,15-16H2,1-4H3,(H,31,32,34)
InChIKeyHEAVNRVYGKPHOX-UHFFFAOYSA-N
MW476.63 g/mol
LogP6.59
Rot. Bonds8

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

7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 164626794) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine
PubChem CID164626794
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCC(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1
InChIInChI=1S/C30H32N6/c1-21(2)22-5-7-23(8-6-22)29-18-26(11-13-31-29)34-28-12-14-32-30-17-24(9-10-27(28)30)25-19-33-36(20-25)16-15-35(3)4/h5-14,17-21H,15-16H2,1-4H3,(H,31,32,34)
InChIKeyHEAVNRVYGKPHOX-UHFFFAOYSA-N
XLogP6.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine (CID 164626794) is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine is CC(C)c1ccc(-c2cc(Nc3ccnc4cc(-c5cnn(CCN(C)C)c5)ccc34)ccn2)cc1.
What is the InChIKey of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is HEAVNRVYGKPHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-21(2)22-5-7-23(8-6-22)29-18-26(11-13-31-29)34-28-12-14-32-30-17-24(9-10-27(28)30)25-19-33-36(20-25)16-15-35(3)4/h5-14,17-21H,15-16H2,1-4H3,(H,31,32,34).
What are the key properties of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine?
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 476.63 g/mol, XLogP of 6.59, 8 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-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 164626794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).