(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one

C22H23N3O — CID 99965132

IUPAC(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCCc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1
InChIInChI=1S/C22H23N3O/c1-4-16-9-5-7-11-19(16)25-14-13-17(15-25)21-23(2)20-12-8-6-10-18(20)22(26)24(21)3/h5-15,21H,4H2,1-3H3/t21-/m1/s1
InChIKeyCLZCZUDZJCXNNG-OAQYLSRUSA-N
MW345.45 g/mol
LogP4.26
Rot. Bonds3

About (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one

(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 99965132) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID99965132
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCCc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1
InChIInChI=1S/C22H23N3O/c1-4-16-9-5-7-11-19(16)25-14-13-17(15-25)21-23(2)20-12-8-6-10-18(20)22(26)24(21)3/h5-15,21H,4H2,1-3H3/t21-/m1/s1
InChIKeyCLZCZUDZJCXNNG-OAQYLSRUSA-N
XLogP4.26
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one (CID 99965132) is (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one is CCc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1.
What is the InChIKey of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is CLZCZUDZJCXNNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-16-9-5-7-11-19(16)25-14-13-17(15-25)21-23(2)20-12-8-6-10-18(20)22(26)24(21)3/h5-15,21H,4H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one?
(2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 345.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 99965132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).