N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide

C24H22N4O5 — CID 166431161

IUPACN-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(C(=O)NCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H22N4O5/c1-15-11-14-33-20(15)22(30)26-17-9-7-16(8-10-17)21(29)25-12-4-13-28-23(31)18-5-2-3-6-19(18)27-24(28)32/h2-3,5-11,14H,4,12-13H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyGMVOSNKYMDBEFJ-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.66
Rot. Bonds7

About N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide

N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide (PubChem CID 166431161) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide
PubChem CID166431161
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(C(=O)NCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H22N4O5/c1-15-11-14-33-20(15)22(30)26-17-9-7-16(8-10-17)21(29)25-12-4-13-28-23(31)18-5-2-3-6-19(18)27-24(28)32/h2-3,5-11,14H,4,12-13H2,1H3,(H,25,29)(H,26,30)(H,27,32)
InChIKeyGMVOSNKYMDBEFJ-UHFFFAOYSA-N
XLogP2.66
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
CID 167882426
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
CID 172640271
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4639143
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide (CID 166431161) is N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(C(=O)NCCCn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is GMVOSNKYMDBEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-15-11-14-33-20(15)22(30)26-17-9-7-16(8-10-17)21(29)25-12-4-13-28-23(31)18-5-2-3-6-19(18)27-24(28)32/h2-3,5-11,14H,4,12-13H2,1H3,(H,25,29)(H,26,30)(H,27,32).
What are the key properties of N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide?
N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 166431161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).