N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide

C23H21N3O5 — CID 46135503

IUPACN-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOc1cccc(-n2c(=O)c3ccccc3n(C(C)C(=O)NCc3ccco3)c2=O)c1
InChIInChI=1S/C23H21N3O5/c1-15(21(27)24-14-18-9-6-12-31-18)25-20-11-4-3-10-19(20)22(28)26(23(25)29)16-7-5-8-17(13-16)30-2/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyJELQCZWWRAHVAN-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.63
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide

N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide (PubChem CID 46135503) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
PubChem CID46135503
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOc1cccc(-n2c(=O)c3ccccc3n(C(C)C(=O)NCc3ccco3)c2=O)c1
InChIInChI=1S/C23H21N3O5/c1-15(21(27)24-14-18-9-6-12-31-18)25-20-11-4-3-10-19(20)22(28)26(23(25)29)16-7-5-8-17(13-16)30-2/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyJELQCZWWRAHVAN-UHFFFAOYSA-N
XLogP2.63
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 93289048
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
3-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxophthalazine-1-carboxamide
CID 3450101
(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 1091523
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 51917518
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide (CID 46135503) is N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide is COc1cccc(-n2c(=O)c3ccccc3n(C(C)C(=O)NCc3ccco3)c2=O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The InChIKey is JELQCZWWRAHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15(21(27)24-14-18-9-6-12-31-18)25-20-11-4-3-10-19(20)22(28)26(23(25)29)16-7-5-8-17(13-16)30-2/h3-13,15H,14H2,1-2H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide has a molecular weight of 419.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide is sourced from PubChem (CID 46135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).