(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C20H19ClN2O3 — CID 32610279

IUPAC(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@@H]1C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H19ClN2O3/c1-25-9-8-23-19(22-17-5-3-2-4-16(17)20(23)24)14-10-13-11-15(21)6-7-18(13)26-12-14/h2-7,10-11,19,22H,8-9,12H2,1H3/t19-/m0/s1
InChIKeyXFBWQBSODIFKRO-IBGZPJMESA-N
MW370.84 g/mol
LogP3.66
Rot. Bonds4

About (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 32610279) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID32610279
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@@H]1C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H19ClN2O3/c1-25-9-8-23-19(22-17-5-3-2-4-16(17)20(23)24)14-10-13-11-15(21)6-7-18(13)26-12-14/h2-7,10-11,19,22H,8-9,12H2,1H3/t19-/m0/s1
InChIKeyXFBWQBSODIFKRO-IBGZPJMESA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515545
(2S)-2-(6-bromo-2H-chromen-3-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 97016739
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 42938244
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 46515563
2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515568
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
3-(2-methoxyethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780311
(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 32608981
methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
CID 32610028
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 32610279) is (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2N[C@@H]1C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XFBWQBSODIFKRO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-9-8-23-19(22-17-5-3-2-4-16(17)20(23)24)14-10-13-11-15(21)6-7-18(13)26-12-14/h2-7,10-11,19,22H,8-9,12H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 370.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chloro-2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 32610279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).