(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

C21H19N3O2 — CID 9006701

IUPAC(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-26-17-11-9-16(10-12-17)24-20(15-6-5-13-22-14-15)23-19-8-4-3-7-18(19)21(24)25/h3-14,20,23H,2H2,1H3/t20-/m1/s1
InChIKeyRBMWYNIKSDBZJR-HXUWFJFHSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9006701) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID9006701
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-26-17-11-9-16(10-12-17)24-20(15-6-5-13-22-14-15)23-19-8-4-3-7-18(19)21(24)25/h3-14,20,23H,2H2,1H3/t20-/m1/s1
InChIKeyRBMWYNIKSDBZJR-HXUWFJFHSA-N
XLogP4.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006689
(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 40790567
4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate
CID 9011814
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006631
(2S)-3-(4-ethoxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011815
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
3-(3,4-dichlorophenyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3122130
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (CID 9006701) is (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1.
What is the InChIKey of (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is RBMWYNIKSDBZJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-26-17-11-9-16(10-12-17)24-20(15-6-5-13-22-14-15)23-19-8-4-3-7-18(19)21(24)25/h3-14,20,23H,2H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).