CID 102016574

C18H22NO3 — CID 102016574

IUPAC—
SMILES[CH2]CN1CCc2cc(OC)c(OC)cc2C12C=CC(=O)CC2
InChIInChI=1S/C18H22NO3/c1-4-19-10-7-13-11-16(21-2)17(22-3)12-15(13)18(19)8-5-14(20)6-9-18/h5,8,11-12H,1,4,6-7,9-10H2,2-3H3
InChIKeyCIEUHBKIJDGLRJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.51
Rot. Bonds3

About CID 102016574

CID 102016574 (PubChem CID 102016574) has the molecular formula C18H22NO3 and a molecular weight of 300.38 g/mol.

Molecular Properties

Compound NameCID 102016574
PubChem CID102016574
Molecular FormulaC18H22NO3
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name—
SMILES[CH2]CN1CCc2cc(OC)c(OC)cc2C12C=CC(=O)CC2
InChIInChI=1S/C18H22NO3/c1-4-19-10-7-13-11-16(21-2)17(22-3)12-15(13)18(19)8-5-14(20)6-9-18/h5,8,11-12H,1,4,6-7,9-10H2,2-3H3
InChIKeyCIEUHBKIJDGLRJ-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11324508
4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one
CID 10036831
(10bS)-10b-ethenyl-8,9-dimethoxy-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline
CID 638514
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone
CID 135109735
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol
CID 11180333
(10bR)-8,9-dimethoxy-10b-(3-oxobutyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-one
CID 54672595
methyl 11,12-dimethoxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate
CID 11632164
1,1-dichloro-9b-(1-chloroethyl)-7,8-dimethoxy-4,5-dihydroazeto[2,1-a]isoquinolin-2-one
CID 11793180
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
CID 101079633
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
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Frequently Asked Questions

What is the IUPAC name of CID 102016574?
The IUPAC name of CID 102016574 (CID 102016574) is not available.
What is the SMILES notation for CID 102016574?
The canonical SMILES for CID 102016574 is [CH2]CN1CCc2cc(OC)c(OC)cc2C12C=CC(=O)CC2.
What is the InChIKey of CID 102016574?
The InChIKey is CIEUHBKIJDGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO3/c1-4-19-10-7-13-11-16(21-2)17(22-3)12-15(13)18(19)8-5-14(20)6-9-18/h5,8,11-12H,1,4,6-7,9-10H2,2-3H3.
What are the key properties of CID 102016574?
CID 102016574 has a molecular weight of 300.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102016574 is sourced from PubChem (CID 102016574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).