N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine

C24H20N6 — CID 55516417

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(-n2cc(CCNc3nc(-c4ccncc4)nc4ccccc34)cn2)cc1
InChIInChI=1S/C24H20N6/c1-2-6-20(7-3-1)30-17-18(16-27-30)10-15-26-24-21-8-4-5-9-22(21)28-23(29-24)19-11-13-25-14-12-19/h1-9,11-14,16-17H,10,15H2,(H,26,28,29)
InChIKeyBQOYEZBGVKKCJB-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine

N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 55516417) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID55516417
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(-n2cc(CCNc3nc(-c4ccncc4)nc4ccccc34)cn2)cc1
InChIInChI=1S/C24H20N6/c1-2-6-20(7-3-1)30-17-18(16-27-30)10-15-26-24-21-8-4-5-9-22(21)28-23(29-24)19-11-13-25-14-12-19/h1-9,11-14,16-17H,10,15H2,(H,26,28,29)
InChIKeyBQOYEZBGVKKCJB-UHFFFAOYSA-N
XLogP4.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine (CID 55516417) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine is c1ccc(-n2cc(CCNc3nc(-c4ccncc4)nc4ccccc34)cn2)cc1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is BQOYEZBGVKKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-2-6-20(7-3-1)30-17-18(16-27-30)10-15-26-24-21-8-4-5-9-22(21)28-23(29-24)19-11-13-25-14-12-19/h1-9,11-14,16-17H,10,15H2,(H,26,28,29).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 392.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 55516417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).