(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one

C20H18N2O2 — CID 7101246

IUPAC(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCOc1ccc2ccccc2c1[C@H]1NC(=O)c2ccccc2N1
InChIInChI=1S/C20H18N2O2/c1-2-24-17-12-11-13-7-3-4-8-14(13)18(17)19-21-16-10-6-5-9-15(16)20(23)22-19/h3-12,19,21H,2H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyBXTTUPQTFCAATL-LJQANCHMSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds3

About (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 7101246) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID7101246
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCCOc1ccc2ccccc2c1[C@H]1NC(=O)c2ccccc2N1
InChIInChI=1S/C20H18N2O2/c1-2-24-17-12-11-13-7-3-4-8-14(13)18(17)19-21-16-10-6-5-9-15(16)20(23)22-19/h3-12,19,21H,2H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyBXTTUPQTFCAATL-LJQANCHMSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
(5R)-11-benzyl-5-(2-ethoxynaphthalen-1-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 26874474
(4S)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188717
(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187289
2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 54778417
4-(2-ethoxynaphthalen-1-yl)-6-methylidene-5-nitro-1,3-diazinan-2-one
CID 4744516
3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778434
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
5-ethoxy-1H-benzo[cd]indol-2-one
CID 23460821
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 25335955
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 7101246) is (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one is CCOc1ccc2ccccc2c1[C@H]1NC(=O)c2ccccc2N1.
What is the InChIKey of (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BXTTUPQTFCAATL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-24-17-12-11-13-7-3-4-8-14(13)18(17)19-21-16-10-6-5-9-15(16)20(23)22-19/h3-12,19,21H,2H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 7101246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).