3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide

C21H23N3O3 — CID 47917494

IUPAC3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)c3cccc(C(C)C)c3)ccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-5-24-20(26)17-10-9-15(12-18(17)22-21(24)27)19(25)23(4)16-8-6-7-14(11-16)13(2)3/h6-13H,5H2,1-4H3,(H,22,27)
InChIKeyJEJSKBZEHOFVMK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.11
Rot. Bonds4

About 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide

3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide (PubChem CID 47917494) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide
PubChem CID47917494
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)c3cccc(C(C)C)c3)ccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-5-24-20(26)17-10-9-15(12-18(17)22-21(24)27)19(25)23(4)16-8-6-7-14(11-16)13(2)3/h6-13H,5H2,1-4H3,(H,22,27)
InChIKeyJEJSKBZEHOFVMK-UHFFFAOYSA-N
XLogP3.11
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide (CID 47917494) is 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)N(C)c3cccc(C(C)C)c3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide?
The InChIKey is JEJSKBZEHOFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-5-24-20(26)17-10-9-15(12-18(17)22-21(24)27)19(25)23(4)16-8-6-7-14(11-16)13(2)3/h6-13H,5H2,1-4H3,(H,22,27).
What are the key properties of 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide?
3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 47917494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).