N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C25H30N4O4 — CID 24633688

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C25H30N4O4/c1-17(2)14-20(28-10-12-33-13-11-28)16-26-23(30)18-8-9-21-22(15-18)27-25(32)29(24(21)31)19-6-4-3-5-7-19/h3-9,15,17,20H,10-14,16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyQBACQBVMBYXWLM-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.16
Rot. Bonds7

About N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 24633688) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID24633688
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C25H30N4O4/c1-17(2)14-20(28-10-12-33-13-11-28)16-26-23(30)18-8-9-21-22(15-18)27-25(32)29(24(21)31)19-6-4-3-5-7-19/h3-9,15,17,20H,10-14,16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyQBACQBVMBYXWLM-UHFFFAOYSA-N
XLogP2.16
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 24633688) is N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is CC(C)CC(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is QBACQBVMBYXWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17(2)14-20(28-10-12-33-13-11-28)16-26-23(30)18-8-9-21-22(15-18)27-25(32)29(24(21)31)19-6-4-3-5-7-19/h3-9,15,17,20H,10-14,16H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24633688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).