4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one

C24H25NO3 — CID 14014459

IUPAC4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12
InChIInChI=1S/C24H25NO3/c1-18-16-24(26)28-23-17-21(8-9-22(18)23)27-15-5-12-25-13-10-20(11-14-25)19-6-3-2-4-7-19/h2-4,6-10,16-17H,5,11-15H2,1H3
InChIKeyKHCWPUMAOWXTTO-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.66
Rot. Bonds6

About 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one

4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one (PubChem CID 14014459) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one
PubChem CID14014459
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12
InChIInChI=1S/C24H25NO3/c1-18-16-24(26)28-23-17-21(8-9-22(18)23)27-15-5-12-25-13-10-20(11-14-25)19-6-3-2-4-7-19/h2-4,6-10,16-17H,5,11-15H2,1H3
InChIKeyKHCWPUMAOWXTTO-UHFFFAOYSA-N
XLogP4.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 11654031
4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one
CID 88680364
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
CID 134816331
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
CID 56971557
7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
CID 14809092
7-[5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentoxy]-4-methylchromen-2-one
CID 71681363
4-methyl-7-[4-(1,2,4-triazol-1-yl)butoxy]chromen-2-one
CID 53320472
7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-3,4-dimethylchromen-2-one;hydrochloride
CID 155559130
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one (CID 14014459) is 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12.
What is the InChIKey of 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one?
The InChIKey is KHCWPUMAOWXTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18-16-24(26)28-23-17-21(8-9-22(18)23)27-15-5-12-25-13-10-20(11-14-25)19-6-3-2-4-7-19/h2-4,6-10,16-17H,5,11-15H2,1H3.
What are the key properties of 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one?
4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one is sourced from PubChem (CID 14014459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).