(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide

C26H23ClFN3O3 — CID 93302213

IUPAC(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
SMILESCC[C@H](C(=O)NCc1ccc(F)cc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C26H23ClFN3O3/c1-3-22(24(32)29-15-17-7-10-19(28)11-8-17)31-23-14-18(27)9-12-21(23)25(33)30(26(31)34)20-6-4-5-16(2)13-20/h4-14,22H,3,15H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyNRFULWQTGRWXLP-JOCHJYFZSA-N
MW479.94 g/mol
LogP4.52
Rot. Bonds6

About (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide

(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 93302213) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID93302213
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
SMILESCC[C@H](C(=O)NCc1ccc(F)cc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C26H23ClFN3O3/c1-3-22(24(32)29-15-17-7-10-19(28)11-8-17)31-23-14-18(27)9-12-21(23)25(33)30(26(31)34)20-6-4-5-16(2)13-20/h4-14,22H,3,15H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyNRFULWQTGRWXLP-JOCHJYFZSA-N
XLogP4.52
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide with MolForge

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 42811703
(2R)-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)butanamide
CID 93304312
7-chloro-1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(3-methylphenyl)quinazoline-2,4-dione
CID 42812067
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46135084
2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]butanoic acid
CID 42810748
4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005067
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 93289048
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide (CID 93302213) is (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide is CC[C@H](C(=O)NCc1ccc(F)cc1)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is NRFULWQTGRWXLP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-3-22(24(32)29-15-17-7-10-19(28)11-8-17)31-23-14-18(27)9-12-21(23)25(33)30(26(31)34)20-6-4-5-16(2)13-20/h4-14,22H,3,15H2,1-2H3,(H,29,32)/t22-/m1/s1.
What are the key properties of (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 479.94 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 93302213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).