N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

C22H19N3O3 — CID 47061690

IUPACN-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1ccc2ncn(Cc3cccc(C(=O)NCc4ccco4)c3)c(=O)c2c1
InChIInChI=1S/C22H19N3O3/c1-15-7-8-20-19(10-15)22(27)25(14-24-20)13-16-4-2-5-17(11-16)21(26)23-12-18-6-3-9-28-18/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeySXZWAURACYQWKY-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.28
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 47061690) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID47061690
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1ccc2ncn(Cc3cccc(C(=O)NCc4ccco4)c3)c(=O)c2c1
InChIInChI=1S/C22H19N3O3/c1-15-7-8-20-19(10-15)22(27)25(14-24-20)13-16-4-2-5-17(11-16)21(26)23-12-18-6-3-9-28-18/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeySXZWAURACYQWKY-UHFFFAOYSA-N
XLogP3.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 47061689
2-(3-benzyl-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 27371851
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 47061692
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 60529812
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (CID 47061690) is N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is Cc1ccc2ncn(Cc3cccc(C(=O)NCc4ccco4)c3)c(=O)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is SXZWAURACYQWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-7-8-20-19(10-15)22(27)25(14-24-20)13-16-4-2-5-17(11-16)21(26)23-12-18-6-3-9-28-18/h2-11,14H,12-13H2,1H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 47061690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).