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

C26H22N2O3 — CID 7027374

IUPAC(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C26H22N2O3/c1-2-31-19-10-7-9-18(16-19)28-25(27-22-13-6-5-12-21(22)26(28)30)24-20-11-4-3-8-17(20)14-15-23(24)29/h3-16,25,27,29H,2H2,1H3/t25-/m1/s1
InChIKeyVZTVQKKFPYZENW-RUZDIDTESA-N
MW410.47 g/mol
LogP5.72
Rot. Bonds4

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

(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 7027374) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
PubChem CID7027374
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C26H22N2O3/c1-2-31-19-10-7-9-18(16-19)28-25(27-22-13-6-5-12-21(22)26(28)30)24-20-11-4-3-8-17(20)14-15-23(24)29/h3-16,25,27,29H,2H2,1H3/t25-/m1/s1
InChIKeyVZTVQKKFPYZENW-RUZDIDTESA-N
XLogP5.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxynaphthalen-1-yl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 4083670
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006631
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
(2S)-3-(4-ethoxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011815
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 9006701
2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006689
(2R)-6-bromo-3-(3-ethoxyphenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 51389222
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (CID 7027374) is (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is CCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(O)ccc3ccccc23)c1.
What is the InChIKey of (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is VZTVQKKFPYZENW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22N2O3/c1-2-31-19-10-7-9-18(16-19)28-25(27-22-13-6-5-12-21(22)26(28)30)24-20-11-4-3-8-17(20)14-15-23(24)29/h3-16,25,27,29H,2H2,1H3/t25-/m1/s1.
What are the key properties of (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 410.47 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7027374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).