4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one

C19H15NO2 — CID 102227366

IUPAC4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one
SMILESO=C1CC(Cc2ccc3ccccc3n2)c2ccccc2O1
InChIInChI=1S/C19H15NO2/c21-19-12-14(16-6-2-4-8-18(16)22-19)11-15-10-9-13-5-1-3-7-17(13)20-15/h1-10,14H,11-12H2
InChIKeyLQDSFCPZDIWBSD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.87
Rot. Bonds2

About 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one

4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one (PubChem CID 102227366) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one
PubChem CID102227366
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one
SMILESO=C1CC(Cc2ccc3ccccc3n2)c2ccccc2O1
InChIInChI=1S/C19H15NO2/c21-19-12-14(16-6-2-4-8-18(16)22-19)11-15-10-9-13-5-1-3-7-17(13)20-15/h1-10,14H,11-12H2
InChIKeyLQDSFCPZDIWBSD-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
CID 158495411
5-(quinolin-2-ylmethyl)pyrrolidin-2-one
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3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
CID 130474109
4-[2-(4-methylphenyl)-2-oxoethyl]-3,4-dihydrochromen-2-one
CID 102279128
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 96556810
[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
CID 89210421
CID 89210421
N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
CID 70034330
2-[2-(oxiran-2-yl)ethyl]quinoline
CID 115410457
2-(iodomethyl)quinoline
CID 19432604

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one (CID 102227366) is 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one is O=C1CC(Cc2ccc3ccccc3n2)c2ccccc2O1.
What is the InChIKey of 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one?
The InChIKey is LQDSFCPZDIWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19-12-14(16-6-2-4-8-18(16)22-19)11-15-10-9-13-5-1-3-7-17(13)20-15/h1-10,14H,11-12H2.
What are the key properties of 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one?
4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 102227366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).