N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

C26H31N3O5 — CID 4103926

IUPACN-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESCCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c2cc1OCC
InChIInChI=1S/C26H31N3O5/c1-3-33-22-14-20-21(15-23(22)34-4-2)28-26(32)29(25(20)31)16-17-10-12-18(13-11-17)24(30)27-19-8-6-5-7-9-19/h10-15,19H,3-9,16H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyUPDXQDOBUDFIGL-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.60
Rot. Bonds8

About N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (PubChem CID 4103926) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
PubChem CID4103926
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESCCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c2cc1OCC
InChIInChI=1S/C26H31N3O5/c1-3-33-22-14-20-21(15-23(22)34-4-2)28-26(32)29(25(20)31)16-17-10-12-18(13-11-17)24(30)27-19-8-6-5-7-9-19/h10-15,19H,3-9,16H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyUPDXQDOBUDFIGL-UHFFFAOYSA-N
XLogP3.60
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 130460812
N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22588192
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3282553
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
CID 4298608
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 22423329
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (CID 4103926) is N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CCCCC4)cc3)c(=O)c2cc1OCC.
What is the InChIKey of N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The InChIKey is UPDXQDOBUDFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-3-33-22-14-20-21(15-23(22)34-4-2)28-26(32)29(25(20)31)16-17-10-12-18(13-11-17)24(30)27-19-8-6-5-7-9-19/h10-15,19H,3-9,16H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 4103926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).