(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one

C26H24ClN3O4 — CID 29310484

IUPAC(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C(c1ccccc1OC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C26H24ClN3O4/c27-20-9-3-5-11-22(20)30-24(28-21-10-4-1-7-18(21)26(30)32)17-34-23-12-6-2-8-19(23)25(31)29-13-15-33-16-14-29/h1-12,24,28H,13-17H2/t24-/m0/s1
InChIKeyKBKNVXCHTYYKJK-DEOSSOPVSA-N
MW477.95 g/mol
LogP4.29
Rot. Bonds5

About (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one

(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 29310484) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one
PubChem CID29310484
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one
SMILESO=C(c1ccccc1OC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C26H24ClN3O4/c27-20-9-3-5-11-22(20)30-24(28-21-10-4-1-7-18(21)26(30)32)17-34-23-12-6-2-8-19(23)25(31)29-13-15-33-16-14-29/h1-12,24,28H,13-17H2/t24-/m0/s1
InChIKeyKBKNVXCHTYYKJK-DEOSSOPVSA-N
XLogP4.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one (CID 29310484) is (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one is O=C(c1ccccc1OC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is KBKNVXCHTYYKJK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c27-20-9-3-5-11-22(20)30-24(28-21-10-4-1-7-18(21)26(30)32)17-34-23-12-6-2-8-19(23)25(31)29-13-15-33-16-14-29/h1-12,24,28H,13-17H2/t24-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one?
(2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 477.95 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chlorophenyl)-2-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 29310484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).