N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C25H29N3O4 — CID 130460812

IUPACN-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCCCC4)ccc3c2=O)cc1C
InChIInChI=1S/C25H29N3O4/c1-3-32-22-12-9-17(13-16(22)2)15-28-24(30)20-11-10-18(14-21(20)27-25(28)31)23(29)26-19-7-5-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUYLOTRJJGBSTDQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.51
Rot. Bonds6

About N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 130460812) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID130460812
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCCCC4)ccc3c2=O)cc1C
InChIInChI=1S/C25H29N3O4/c1-3-32-22-12-9-17(13-16(22)2)15-28-24(30)20-11-10-18(14-21(20)27-25(28)31)23(29)26-19-7-5-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUYLOTRJJGBSTDQ-UHFFFAOYSA-N
XLogP3.51
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 130460812) is N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCCCC4)ccc3c2=O)cc1C.
What is the InChIKey of N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is UYLOTRJJGBSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-32-22-12-9-17(13-16(22)2)15-28-24(30)20-11-10-18(14-21(20)27-25(28)31)23(29)26-19-7-5-4-6-8-19/h9-14,19H,3-8,15H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 130460812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).