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

C27H26N6 — CID 164628562

IUPAC7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
SMILESCN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cn1
InChIInChI=1S/C27H26N6/c1-32(2)14-15-33-19-22(18-30-33)21-8-9-24-25(11-13-29-27(24)16-21)31-23-10-12-28-26(17-23)20-6-4-3-5-7-20/h3-13,16-19H,14-15H2,1-2H3,(H,28,29,31)
InChIKeyDRDNNBDHDQBCMC-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.47
Rot. Bonds7

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

7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine (PubChem CID 164628562) has the molecular formula C27H26N6 and a molecular weight of 434.55 g/mol. Its IUPAC name is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
PubChem CID164628562
Molecular FormulaC27H26N6
Molecular Weight434.55 g/mol
Exact Mass434.22
IUPAC Name7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
SMILESCN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cn1
InChIInChI=1S/C27H26N6/c1-32(2)14-15-33-19-22(18-30-33)21-8-9-24-25(11-13-29-27(24)16-21)31-23-10-12-28-26(17-23)20-6-4-3-5-7-20/h3-13,16-19H,14-15H2,1-2H3,(H,28,29,31)
InChIKeyDRDNNBDHDQBCMC-UHFFFAOYSA-N
XLogP5.47
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.47
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-phenyl-4-pyridinyl)quinolin-4-amine?
The IUPAC name of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine (CID 164628562) is 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
The canonical SMILES for 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine is CN(C)CCn1cc(-c2ccc3c(Nc4ccnc(-c5ccccc5)c4)ccnc3c2)cn1.
What is the InChIKey of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
The InChIKey is DRDNNBDHDQBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6/c1-32(2)14-15-33-19-22(18-30-33)21-8-9-24-25(11-13-29-27(24)16-21)31-23-10-12-28-26(17-23)20-6-4-3-5-7-20/h3-13,16-19H,14-15H2,1-2H3,(H,28,29,31).
What are the key properties of 7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine?
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine has a molecular weight of 434.55 g/mol, XLogP of 5.47, 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-phenyl-4-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 164628562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).