(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

C28H29N3O5 — CID 40973072

IUPAC(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C28H29N3O5/c1-19-6-5-7-21(16-19)31-27(29-23-9-4-3-8-22(23)28(31)33)20-10-11-24(25(17-20)34-2)36-18-26(32)30-12-14-35-15-13-30/h3-11,16-17,27,29H,12-15,18H2,1-2H3/t27-/m0/s1
InChIKeyNLNIBQVXVWEEHZ-MHZLTWQESA-N
MW487.56 g/mol
LogP4.01
Rot. Bonds6

About (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 40973072) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID40973072
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C28H29N3O5/c1-19-6-5-7-21(16-19)31-27(29-23-9-4-3-8-22(23)28(31)33)20-10-11-24(25(17-20)34-2)36-18-26(32)30-12-14-35-15-13-30/h3-11,16-17,27,29H,12-15,18H2,1-2H3/t27-/m0/s1
InChIKeyNLNIBQVXVWEEHZ-MHZLTWQESA-N
XLogP4.01
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 41219072
3-(4-fluorophenyl)-2-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 17431478
3-(3,5-dimethylphenyl)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 23764915
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
(2S)-3-(1,3-benzodioxol-5-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 38112608
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetonitrile
CID 9007360
methyl 4-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864677
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 40973072) is (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NLNIBQVXVWEEHZ-MHZLTWQESA-N. The full InChI is InChI=1S/C28H29N3O5/c1-19-6-5-7-21(16-19)31-27(29-23-9-4-3-8-22(23)28(31)33)20-10-11-24(25(17-20)34-2)36-18-26(32)30-12-14-35-15-13-30/h3-11,16-17,27,29H,12-15,18H2,1-2H3/t27-/m0/s1.
What are the key properties of (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 487.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40973072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).