7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione

C23H25N3O3 — CID 52535540

IUPAC7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)ccc2c1=O
InChIInChI=1S/C23H25N3O3/c1-4-25-22(28)18-10-9-17(13-19(18)24-23(25)29)21(27)26-11-5-6-20(26)16-8-7-14(2)15(3)12-16/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,24,29)/t20-/m1/s1
InChIKeyRZEMKMQUXMYUEL-HXUWFJFHSA-N
MW391.47 g/mol
LogP3.30
Rot. Bonds3

About 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione

7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione (PubChem CID 52535540) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
PubChem CID52535540
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)ccc2c1=O
InChIInChI=1S/C23H25N3O3/c1-4-25-22(28)18-10-9-17(13-19(18)24-23(25)29)21(27)26-11-5-6-20(26)16-8-7-14(2)15(3)12-16/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,24,29)/t20-/m1/s1
InChIKeyRZEMKMQUXMYUEL-HXUWFJFHSA-N
XLogP3.30
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-ethyl-7-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 119649230
(2S)-1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-2-carboxylic acid
CID 125132965
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-ethyl-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 120729563
3-ethyl-7-[(2R)-2-ethylazepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 99610462
7-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51264700
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 46548249
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121
7-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 95045601
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione (CID 52535540) is 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)ccc2c1=O.
What is the InChIKey of 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione?
The InChIKey is RZEMKMQUXMYUEL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-25-22(28)18-10-9-17(13-19(18)24-23(25)29)21(27)26-11-5-6-20(26)16-8-7-14(2)15(3)12-16/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,24,29)/t20-/m1/s1.
What are the key properties of 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione?
7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 52535540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).