4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide

C28H36N4O7 — CID 75550336

IUPAC4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCOC1CC2C(=O)N(Cc3ccc(C(=O)NCc4ccco4)cc3)C(=O)N(CC(=O)NC(C)C)C2CC1OC
InChIInChI=1S/C28H36N4O7/c1-17(2)30-25(33)16-31-22-13-24(38-4)23(37-3)12-21(22)27(35)32(28(31)36)15-18-7-9-19(10-8-18)26(34)29-14-20-6-5-11-39-20/h5-11,17,21-24H,12-16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyWUVZKLKMJAWVOJ-UHFFFAOYSA-N
MW540.62 g/mol
LogP2.31
Rot. Bonds10

About 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide

4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 75550336) has the molecular formula C28H36N4O7 and a molecular weight of 540.62 g/mol. Its IUPAC name is 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID75550336
Molecular FormulaC28H36N4O7
Molecular Weight540.62 g/mol
Exact Mass540.26
IUPAC Name4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCOC1CC2C(=O)N(Cc3ccc(C(=O)NCc4ccco4)cc3)C(=O)N(CC(=O)NC(C)C)C2CC1OC
InChIInChI=1S/C28H36N4O7/c1-17(2)30-25(33)16-31-22-13-24(38-4)23(37-3)12-21(22)27(35)32(28(31)36)15-18-7-9-19(10-8-18)26(34)29-14-20-6-5-11-39-20/h5-11,17,21-24H,12-16H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyWUVZKLKMJAWVOJ-UHFFFAOYSA-N
XLogP2.31
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide with MolForge

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Related Compounds

N-butan-2-yl-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 75550119
N-butan-2-yl-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 75550020
4-[[1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(3-methylbutyl)benzamide
CID 75550047
N-(furan-2-ylmethyl)-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]pentanamide
CID 75545209
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 46277155
N-(furan-2-ylmethyl)-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277487
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1408275
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
3-[1-[(3-chlorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 75185701
5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 53159210

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide (CID 75550336) is 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide is COC1CC2C(=O)N(Cc3ccc(C(=O)NCc4ccco4)cc3)C(=O)N(CC(=O)NC(C)C)C2CC1OC.
What is the InChIKey of 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WUVZKLKMJAWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O7/c1-17(2)30-25(33)16-31-22-13-24(38-4)23(37-3)12-21(22)27(35)32(28(31)36)15-18-7-9-19(10-8-18)26(34)29-14-20-6-5-11-39-20/h5-11,17,21-24H,12-16H2,1-4H3,(H,29,34)(H,30,33).
What are the key properties of 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 540.62 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 75550336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).