(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one

C22H26N2O3 — CID 9008714

IUPAC(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCC
InChIInChI=1S/C22H26N2O3/c1-3-13-27-19-12-9-15(14-20(19)26-4-2)21-23-18-8-6-5-7-17(18)22(25)24(21)16-10-11-16/h5-9,12,14,16,21,23H,3-4,10-11,13H2,1-2H3/t21-/m0/s1
InChIKeyVBWKZKLDFGYCJT-NRFANRHFSA-N
MW366.46 g/mol
LogP4.60
Rot. Bonds7

About (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9008714) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9008714
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCC
InChIInChI=1S/C22H26N2O3/c1-3-13-27-19-12-9-15(14-20(19)26-4-2)21-23-18-8-6-5-7-17(18)22(25)24(21)16-10-11-16/h5-9,12,14,16,21,23H,3-4,10-11,13H2,1-2H3/t21-/m0/s1
InChIKeyVBWKZKLDFGYCJT-NRFANRHFSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 41219072
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
(2R)-3-[(2R)-butan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008099
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3791606
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2S)-3-[(2S)-butan-2-yl]-2-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 9008382
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9008714) is (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCC.
What is the InChIKey of (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VBWKZKLDFGYCJT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-13-27-19-12-9-15(14-20(19)26-4-2)21-23-18-8-6-5-7-17(18)22(25)24(21)16-10-11-16/h5-9,12,14,16,21,23H,3-4,10-11,13H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 366.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).