6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione

C20H21N3O3 — CID 125444838

IUPAC6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione
SMILESC[C@@H](c1ccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-13(23-8-10-26-11-9-23)14-2-4-15(5-3-14)16-6-7-18-17(12-16)19(24)22-20(25)21-18/h2-7,12-13H,8-11H2,1H3,(H2,21,22,24,25)/t13-/m0/s1
InChIKeyFFOOYHCVBRETMS-ZDUSSCGKSA-N
MW351.41 g/mol
LogP2.28
Rot. Bonds3

About 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione

6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione (PubChem CID 125444838) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione
PubChem CID125444838
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione
SMILESC[C@@H](c1ccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-13(23-8-10-26-11-9-23)14-2-4-15(5-3-14)16-6-7-18-17(12-16)19(24)22-20(25)21-18/h2-7,12-13H,8-11H2,1H3,(H2,21,22,24,25)/t13-/m0/s1
InChIKeyFFOOYHCVBRETMS-ZDUSSCGKSA-N
XLogP2.28
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione (CID 125444838) is 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione is C[C@@H](c1ccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is FFOOYHCVBRETMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(23-8-10-26-11-9-23)14-2-4-15(5-3-14)16-6-7-18-17(12-16)19(24)22-20(25)21-18/h2-7,12-13H,8-11H2,1H3,(H2,21,22,24,25)/t13-/m0/s1.
What are the key properties of 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione?
6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 351.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 125444838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).