(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide

C23H26ClN3O4 — CID 93302190

IUPAC(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCC(C)C)c2=O)cc1
InChIInChI=1S/C23H26ClN3O4/c1-5-31-18-9-7-17(8-10-18)27-22(29)19-11-6-16(24)12-20(19)26(23(27)30)15(4)21(28)25-13-14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyCFKPSWOVMAMTMN-HNNXBMFYSA-N
MW443.93 g/mol
LogP3.54
Rot. Bonds7

About (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide

(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 93302190) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID93302190
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCC(C)C)c2=O)cc1
InChIInChI=1S/C23H26ClN3O4/c1-5-31-18-9-7-17(8-10-18)27-22(29)19-11-6-16(24)12-20(19)26(23(27)30)15(4)21(28)25-13-14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyCFKPSWOVMAMTMN-HNNXBMFYSA-N
XLogP3.54
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]butanoic acid
CID 42810748
2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 42810737
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
(2R)-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)butanamide
CID 93304312
2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
CID 71959526
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
1-[(4-acetylpiperazin-1-yl)methyl]-8-chloro-4-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27135746
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 93302213
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide (CID 93302190) is (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide is CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n([C@@H](C)C(=O)NCC(C)C)c2=O)cc1.
What is the InChIKey of (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is CFKPSWOVMAMTMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-5-31-18-9-7-17(8-10-18)27-22(29)19-11-6-16(24)12-20(19)26(23(27)30)15(4)21(28)25-13-14(2)3/h6-12,14-15H,5,13H2,1-4H3,(H,25,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide?
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 443.93 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 93302190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).