methyl 8-methoxyphenanthridine-3-carboxylate

C16H13NO3 — CID 167513566

IUPACmethyl 8-methoxyphenanthridine-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncc1cc(OC)ccc12
InChIInChI=1S/C16H13NO3/c1-19-12-4-6-13-11(7-12)9-17-15-8-10(16(18)20-2)3-5-14(13)15/h3-9H,1-2H3
InChIKeyQUUHSNQYBPMTJE-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.18
Rot. Bonds2

About methyl 8-methoxyphenanthridine-3-carboxylate

methyl 8-methoxyphenanthridine-3-carboxylate (PubChem CID 167513566) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 8-methoxyphenanthridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxyphenanthridine-3-carboxylate
PubChem CID167513566
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namemethyl 8-methoxyphenanthridine-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncc1cc(OC)ccc12
InChIInChI=1S/C16H13NO3/c1-19-12-4-6-13-11(7-12)9-17-15-8-10(16(18)20-2)3-5-14(13)15/h3-9H,1-2H3
InChIKeyQUUHSNQYBPMTJE-UHFFFAOYSA-N
XLogP3.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;(8-methoxyphenanthridin-3-yl) trifluoromethanesulfonate
CID 167513567
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
4,7-dimethoxyisoquinoline-3-carboxylic acid
CID 22923779
methyl phenazine-2-carboxylate
CID 617185
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 4-chloro-1-(2-chloro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961988
methyl 4-fluoro-1-(2-fluoro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961573
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxyphenanthridine-3-carboxylate?
The IUPAC name of methyl 8-methoxyphenanthridine-3-carboxylate (CID 167513566) is methyl 8-methoxyphenanthridine-3-carboxylate.
What is the SMILES notation for methyl 8-methoxyphenanthridine-3-carboxylate?
The canonical SMILES for methyl 8-methoxyphenanthridine-3-carboxylate is COC(=O)c1ccc2c(c1)ncc1cc(OC)ccc12.
What is the InChIKey of methyl 8-methoxyphenanthridine-3-carboxylate?
The InChIKey is QUUHSNQYBPMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-4-6-13-11(7-12)9-17-15-8-10(16(18)20-2)3-5-14(13)15/h3-9H,1-2H3.
What are the key properties of methyl 8-methoxyphenanthridine-3-carboxylate?
methyl 8-methoxyphenanthridine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxyphenanthridine-3-carboxylate is sourced from PubChem (CID 167513566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).