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

C17H23N3O3 — CID 87016169

IUPAC3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)CCC(C)C)ccc2c1=O
InChIInChI=1S/C17H23N3O3/c1-5-20-16(22)13-7-6-12(10-14(13)18-17(20)23)15(21)19(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,23)
InChIKeyRIMWOJMVFUWMTO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.83
Rot. Bonds5

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

3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 87016169) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID87016169
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)N(C)CCC(C)C)ccc2c1=O
InChIInChI=1S/C17H23N3O3/c1-5-20-16(22)13-7-6-12(10-14(13)18-17(20)23)15(21)19(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,23)
InChIKeyRIMWOJMVFUWMTO-UHFFFAOYSA-N
XLogP1.83
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-methyl-2,4-dioxo-N-(3-propan-2-ylphenyl)-1H-quinazoline-7-carboxamide
CID 47917494
N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78897733
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
3-ethyl-2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-quinazoline-7-carboxamide;hydrochloride
CID 119823619
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
N,N,3-triethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 37250315
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
N-(2,3-dihydro-1H-inden-1-yl)-3-ethyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 71940191
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 3250944
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
CID 60504091

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 87016169) is 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)N(C)CCC(C)C)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is RIMWOJMVFUWMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-20-16(22)13-7-6-12(10-14(13)18-17(20)23)15(21)19(4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,23).
What are the key properties of 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 87016169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).