(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C19H16N6O2 — CID 55641210

IUPAC(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCc2nc(N)c3ccccc3n2)cnn1-c1ccccn1
InChIInChI=1S/C19H16N6O2/c1-12-14(10-22-25(12)17-8-4-5-9-21-17)19(26)27-11-16-23-15-7-3-2-6-13(15)18(20)24-16/h2-10H,11H2,1H3,(H2,20,23,24)
InChIKeyMCXACAZLPJHYHF-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.46
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55641210) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55641210
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCc2nc(N)c3ccccc3n2)cnn1-c1ccccn1
InChIInChI=1S/C19H16N6O2/c1-12-14(10-22-25(12)17-8-4-5-9-21-17)19(26)27-11-16-23-15-7-3-2-6-13(15)18(20)24-16/h2-10H,11H2,1H3,(H2,20,23,24)
InChIKeyMCXACAZLPJHYHF-UHFFFAOYSA-N
XLogP2.46
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55641210) is (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCc2nc(N)c3ccccc3n2)cnn1-c1ccccn1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is MCXACAZLPJHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-14(10-22-25(12)17-8-4-5-9-21-17)19(26)27-11-16-23-15-7-3-2-6-13(15)18(20)24-16/h2-10H,11H2,1H3,(H2,20,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 360.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55641210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).