(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

C19H21N3O3 — CID 796894

IUPAC(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCCN(CC)C(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-3-21(4-2)17(23)19(25)15-12-8-9-13-16(15)20-18(24)22(19)14-10-6-5-7-11-14/h5-13,25H,3-4H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyFTEBASPSRWPPER-LJQANCHMSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds4

About (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (PubChem CID 796894) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
PubChem CID796894
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCCN(CC)C(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-3-21(4-2)17(23)19(25)15-12-8-9-13-16(15)20-18(24)22(19)14-10-6-5-7-11-14/h5-13,25H,3-4H2,1-2H3,(H,20,24)/t19-/m1/s1
InChIKeyFTEBASPSRWPPER-LJQANCHMSA-N
XLogP2.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (CID 796894) is (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is CCN(CC)C(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1.
What is the InChIKey of (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The InChIKey is FTEBASPSRWPPER-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-21(4-2)17(23)19(25)15-12-8-9-13-16(15)20-18(24)22(19)14-10-6-5-7-11-14/h5-13,25H,3-4H2,1-2H3,(H,20,24)/t19-/m1/s1.
What are the key properties of (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).