(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide

C28H27N3O4 — CID 93289051

IUPAC(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)c1ccccc1)n1c(=O)n(-c2cccc(C(C)=O)c2)c(=O)c2ccccc21
InChIInChI=1S/C28H27N3O4/c1-4-24(26(33)29-18(2)20-11-6-5-7-12-20)31-25-16-9-8-15-23(25)27(34)30(28(31)35)22-14-10-13-21(17-22)19(3)32/h5-18,24H,4H2,1-3H3,(H,29,33)/t18-,24+/m0/s1
InChIKeyAXTRAHIRVKPJSL-MHECFPHRSA-N
MW469.54 g/mol
LogP4.18
Rot. Bonds7

About (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide

(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 93289051) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
PubChem CID93289051
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)c1ccccc1)n1c(=O)n(-c2cccc(C(C)=O)c2)c(=O)c2ccccc21
InChIInChI=1S/C28H27N3O4/c1-4-24(26(33)29-18(2)20-11-6-5-7-12-20)31-25-16-9-8-15-23(25)27(34)30(28(31)35)22-14-10-13-21(17-22)19(3)32/h5-18,24H,4H2,1-3H3,(H,29,33)/t18-,24+/m0/s1
InChIKeyAXTRAHIRVKPJSL-MHECFPHRSA-N
XLogP4.18
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide (CID 93289051) is (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide is CC[C@H](C(=O)N[C@@H](C)c1ccccc1)n1c(=O)n(-c2cccc(C(C)=O)c2)c(=O)c2ccccc21.
What is the InChIKey of (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is AXTRAHIRVKPJSL-MHECFPHRSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-4-24(26(33)29-18(2)20-11-6-5-7-12-20)31-25-16-9-8-15-23(25)27(34)30(28(31)35)22-14-10-13-21(17-22)19(3)32/h5-18,24H,4H2,1-3H3,(H,29,33)/t18-,24+/m0/s1.
What are the key properties of (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide?
(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 469.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 93289051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).