N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C17H23N3O4 — CID 78897733

IUPACN-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1
InChIInChI=1S/C17H23N3O4/c1-3-5-8-19(9-10-21)15(22)12-6-7-13-14(11-12)18-17(24)20(4-2)16(13)23/h6-7,11,21H,3-5,8-10H2,1-2H3,(H,18,24)
InChIKeyOEHZLBUCOALPLD-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.94
Rot. Bonds7

About N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 78897733) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID78897733
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1
InChIInChI=1S/C17H23N3O4/c1-3-5-8-19(9-10-21)15(22)12-6-7-13-14(11-12)18-17(24)20(4-2)16(13)23/h6-7,11,21H,3-5,8-10H2,1-2H3,(H,18,24)
InChIKeyOEHZLBUCOALPLD-UHFFFAOYSA-N
XLogP0.94
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 78897733) is N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is CCCCN(CCO)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1.
What is the InChIKey of N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is OEHZLBUCOALPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-5-8-19(9-10-21)15(22)12-6-7-13-14(11-12)18-17(24)20(4-2)16(13)23/h6-7,11,21H,3-5,8-10H2,1-2H3,(H,18,24).
What are the key properties of N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 78897733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).