4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

C27H32N4O6 — CID 50793258

IUPAC4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C27H32N4O6/c1-28-25(33)18-11-9-17(10-12-18)15-31-26(34)20-13-22(36-2)23(37-3)14-21(20)30(27(31)35)16-24(32)29-19-7-5-4-6-8-19/h9-14,19H,4-8,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyQKQFSRGODPFPKM-UHFFFAOYSA-N
MW508.58 g/mol
LogP2.04
Rot. Bonds8

About 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (PubChem CID 50793258) has the molecular formula C27H32N4O6 and a molecular weight of 508.58 g/mol. Its IUPAC name is 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
PubChem CID50793258
Molecular FormulaC27H32N4O6
Molecular Weight508.58 g/mol
Exact Mass508.23
IUPAC Name4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C27H32N4O6/c1-28-25(33)18-11-9-17(10-12-18)15-31-26(34)20-13-22(36-2)23(37-3)14-21(20)30(27(31)35)16-24(32)29-19-7-5-4-6-8-19/h9-14,19H,4-8,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyQKQFSRGODPFPKM-UHFFFAOYSA-N
XLogP2.04
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide with MolForge

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Related Compounds

N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793227
4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793236
4-[[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793423
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
N-butan-2-yl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793368
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511
4-[[6,7-dimethoxy-1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793413
N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46506250
N-[(2R)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050239
N-[(2S)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050240
4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 98321214

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (CID 50793258) is 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1.
What is the InChIKey of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is QKQFSRGODPFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O6/c1-28-25(33)18-11-9-17(10-12-18)15-31-26(34)20-13-22(36-2)23(37-3)14-21(20)30(27(31)35)16-24(32)29-19-7-5-4-6-8-19/h9-14,19H,4-8,15-16H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 508.58 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 50793258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).