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

C23H26ClN3O3 — CID 93302210

IUPAC(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
SMILESCC[C@@H](C)NC(=O)[C@H](CC)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C23H26ClN3O3/c1-5-15(4)25-21(28)19(6-2)27-20-13-16(24)10-11-18(20)22(29)26(23(27)30)17-9-7-8-14(3)12-17/h7-13,15,19H,5-6H2,1-4H3,(H,25,28)/t15-,19+/m1/s1
InChIKeyCXUUBRSXRMMDEX-BEFAXECRSA-N
MW427.93 g/mol
LogP3.98
Rot. Bonds6

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

(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide (PubChem CID 93302210) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
PubChem CID93302210
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
SMILESCC[C@@H](C)NC(=O)[C@H](CC)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C23H26ClN3O3/c1-5-15(4)25-21(28)19(6-2)27-20-13-16(24)10-11-18(20)22(29)26(23(27)30)17-9-7-8-14(3)12-17/h7-13,15,19H,5-6H2,1-4H3,(H,25,28)/t15-,19+/m1/s1
InChIKeyCXUUBRSXRMMDEX-BEFAXECRSA-N
XLogP3.98
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 93302213
7-chloro-1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(3-methylphenyl)quinazoline-2,4-dione
CID 42812067
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
(2R)-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)butanamide
CID 93304312
2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 42811703
2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]butanoic acid
CID 42810748
(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
CID 93289051
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
CID 93302190
2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46135084
(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7907993

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide (CID 93302210) is (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide is CC[C@@H](C)NC(=O)[C@H](CC)n1c(=O)n(-c2cccc(C)c2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide?
The InChIKey is CXUUBRSXRMMDEX-BEFAXECRSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-5-15(4)25-21(28)19(6-2)27-20-13-16(24)10-11-18(20)22(29)26(23(27)30)17-9-7-8-14(3)12-17/h7-13,15,19H,5-6H2,1-4H3,(H,25,28)/t15-,19+/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide?
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide has a molecular weight of 427.93 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide is sourced from PubChem (CID 93302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).