4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one

C20H23NO3 — CID 135265456

IUPAC4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one
SMILESCOc1ccc2c(c1)CCCN2C1(C)CC(=O)OC2=C1CCC=C2
InChIInChI=1S/C20H23NO3/c1-20(13-19(22)24-18-8-4-3-7-16(18)20)21-11-5-6-14-12-15(23-2)9-10-17(14)21/h4,8-10,12H,3,5-7,11,13H2,1-2H3
InChIKeyNTCVDTMLGUCGAI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.76
Rot. Bonds2

About 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one

4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one (PubChem CID 135265456) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one.

Molecular Properties

Compound Name4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one
PubChem CID135265456
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one
SMILESCOc1ccc2c(c1)CCCN2C1(C)CC(=O)OC2=C1CCC=C2
InChIInChI=1S/C20H23NO3/c1-20(13-19(22)24-18-8-4-3-7-16(18)20)21-11-5-6-14-12-15(23-2)9-10-17(14)21/h4,8-10,12H,3,5-7,11,13H2,1-2H3
InChIKeyNTCVDTMLGUCGAI-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one?
The IUPAC name of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one (CID 135265456) is 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one.
What is the SMILES notation for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one?
The canonical SMILES for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one is COc1ccc2c(c1)CCCN2C1(C)CC(=O)OC2=C1CCC=C2.
What is the InChIKey of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one?
The InChIKey is NTCVDTMLGUCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(13-19(22)24-18-8-4-3-7-16(18)20)21-11-5-6-14-12-15(23-2)9-10-17(14)21/h4,8-10,12H,3,5-7,11,13H2,1-2H3.
What are the key properties of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one?
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-4-methyl-5,6-dihydro-3H-chromen-2-one is sourced from PubChem (CID 135265456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).