4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide

C17H20BrN3O4 — CID 3686336

IUPAC4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCC1CCCO1
InChIInChI=1S/C17H20BrN3O4/c18-11-5-6-14-13(9-11)16(23)21(17(24)20-14)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24)
InChIKeyDWJFZGXCHZNCKY-UHFFFAOYSA-N
MW410.27 g/mol
LogP1.53
Rot. Bonds6

About 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide

4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3686336) has the molecular formula C17H20BrN3O4 and a molecular weight of 410.27 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3686336
Molecular FormulaC17H20BrN3O4
Molecular Weight410.27 g/mol
Exact Mass409.06
IUPAC Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCC1CCCO1
InChIInChI=1S/C17H20BrN3O4/c18-11-5-6-14-13(9-11)16(23)21(17(24)20-14)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24)
InChIKeyDWJFZGXCHZNCKY-UHFFFAOYSA-N
XLogP1.53
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
CID 3244789
3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 18592388
6-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 92907177
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide
CID 4225067
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2978035
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 110344679
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 16884877
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 51393482
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 3686336) is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCC1CCCO1.
What is the InChIKey of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is DWJFZGXCHZNCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4/c18-11-5-6-14-13(9-11)16(23)21(17(24)20-14)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24).
What are the key properties of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 410.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3686336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).