6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione

C20H21N3O2 — CID 95120206

IUPAC6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione
SMILESC[C@H](c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)N1CCCC1
InChIInChI=1S/C20H21N3O2/c1-13(23-9-2-3-10-23)14-5-4-6-15(11-14)16-7-8-18-17(12-16)19(24)22-20(25)21-18/h4-8,11-13H,2-3,9-10H2,1H3,(H2,21,22,24,25)/t13-/m1/s1
InChIKeyVBGPYYGWEBNFKP-CYBMUJFWSA-N
MW335.41 g/mol
LogP3.04
Rot. Bonds3

About 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione

6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione (PubChem CID 95120206) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione
PubChem CID95120206
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione
SMILESC[C@H](c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)N1CCCC1
InChIInChI=1S/C20H21N3O2/c1-13(23-9-2-3-10-23)14-5-4-6-15(11-14)16-7-8-18-17(12-16)19(24)22-20(25)21-18/h4-8,11-13H,2-3,9-10H2,1H3,(H2,21,22,24,25)/t13-/m1/s1
InChIKeyVBGPYYGWEBNFKP-CYBMUJFWSA-N
XLogP3.04
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione
CID 125444838
formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
CID 154907704
3-methyl-6-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,4-dihydroquinazolin-2-one
CID 125437544
2-(methylamino)-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]benzoic acid
CID 95213267
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
5-[1-(1,4-diazepan-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 82500606
1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
CID 95120369
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione (CID 95120206) is 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione is C[C@H](c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)N1CCCC1.
What is the InChIKey of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is VBGPYYGWEBNFKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(23-9-2-3-10-23)14-5-4-6-15(11-14)16-7-8-18-17(12-16)19(24)22-20(25)21-18/h4-8,11-13H,2-3,9-10H2,1H3,(H2,21,22,24,25)/t13-/m1/s1.
What are the key properties of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 95120206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).