3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

C17H23N3O4 — CID 73217512

IUPAC3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)NCCC(C)C)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-11(2)6-7-18-15(21)12-4-5-13-14(10-12)19-17(23)20(16(13)22)8-9-24-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,21)
InChIKeyROWIIZJSNXVBDU-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.31
Rot. Bonds7

About 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (PubChem CID 73217512) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
PubChem CID73217512
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOCCN1C(=O)N=C2C=C(C(=O)NCCC(C)C)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-11(2)6-7-18-15(21)12-4-5-13-14(10-12)19-17(23)20(16(13)22)8-9-24-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,21)
InChIKeyROWIIZJSNXVBDU-UHFFFAOYSA-N
XLogP1.31
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (CID 73217512) is 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is COCCN1C(=O)N=C2C=C(C(=O)NCCC(C)C)C=CC2C1=O.
What is the InChIKey of 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The InChIKey is ROWIIZJSNXVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(2)6-7-18-15(21)12-4-5-13-14(10-12)19-17(23)20(16(13)22)8-9-24-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,21).
What are the key properties of 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73217512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).