3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide

C20H18N6O3 — CID 55813371

IUPAC3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3-n3cccn3)ccc2c1=O
InChIInChI=1S/C20H18N6O3/c1-2-25-19(28)15-7-6-13(11-16(15)24-20(25)29)18(27)22-12-14-5-3-8-21-17(14)26-10-4-9-23-26/h3-11H,2,12H2,1H3,(H,22,27)(H,24,29)
InChIKeyPRVKZNNAWSHASA-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.22
Rot. Bonds5

About 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide

3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide (PubChem CID 55813371) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide
PubChem CID55813371
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3-n3cccn3)ccc2c1=O
InChIInChI=1S/C20H18N6O3/c1-2-25-19(28)15-7-6-13(11-16(15)24-20(25)29)18(27)22-12-14-5-3-8-21-17(14)26-10-4-9-23-26/h3-11H,2,12H2,1H3,(H,22,27)(H,24,29)
InChIKeyPRVKZNNAWSHASA-UHFFFAOYSA-N
XLogP1.22
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide (CID 55813371) is 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3-n3cccn3)ccc2c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide?
The InChIKey is PRVKZNNAWSHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-2-25-19(28)15-7-6-13(11-16(15)24-20(25)29)18(27)22-12-14-5-3-8-21-17(14)26-10-4-9-23-26/h3-11H,2,12H2,1H3,(H,22,27)(H,24,29).
What are the key properties of 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide?
3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).