(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one

C20H19N3O2S — CID 31663079

IUPAC(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C)cc2)cs1
InChIInChI=1S/C20H19N3O2S/c1-13-21-15(12-26-13)11-25-16-9-7-14(8-10-16)19-22-18-6-4-3-5-17(18)20(24)23(19)2/h3-10,12,19,22H,11H2,1-2H3/t19-/m1/s1
InChIKeyYQBMJOHBXGHPDG-LJQANCHMSA-N
MW365.46 g/mol
LogP4.23
Rot. Bonds4

About (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one

(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 31663079) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID31663079
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C)cc2)cs1
InChIInChI=1S/C20H19N3O2S/c1-13-21-15(12-26-13)11-25-16-9-7-14(8-10-16)19-22-18-6-4-3-5-17(18)20(24)23(19)2/h3-10,12,19,22H,11H2,1-2H3/t19-/m1/s1
InChIKeyYQBMJOHBXGHPDG-LJQANCHMSA-N
XLogP4.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 55495671
3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780065
(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9291578
(4S)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135909156
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 41138450
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 47117586
(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 41173305
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 35233666

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one (CID 31663079) is (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one is Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C)cc2)cs1.
What is the InChIKey of (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is YQBMJOHBXGHPDG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-21-15(12-26-13)11-25-16-9-7-14(8-10-16)19-22-18-6-4-3-5-17(18)20(24)23(19)2/h3-10,12,19,22H,11H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 365.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 31663079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).