methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate

C15H17NO3 — CID 11448310

IUPACmethyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate
SMILESCCC1=NCC(C(=O)OC)=Cc2cc(OC)ccc21
InChIInChI=1S/C15H17NO3/c1-4-14-13-6-5-12(18-2)8-10(13)7-11(9-16-14)15(17)19-3/h5-8H,4,9H2,1-3H3
InChIKeyBTFZWWPFQSDBSW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds3

About methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate

methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate (PubChem CID 11448310) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate
PubChem CID11448310
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate
SMILESCCC1=NCC(C(=O)OC)=Cc2cc(OC)ccc21
InChIInChI=1S/C15H17NO3/c1-4-14-13-6-5-12(18-2)8-10(13)7-11(9-16-14)15(17)19-3/h5-8H,4,9H2,1-3H3
InChIKeyBTFZWWPFQSDBSW-UHFFFAOYSA-N
XLogP2.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine
CID 163725874
3-Aza-2-ethyl-5-methoxycarbonyl-9,10,11-trimethoxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene
CID 5246288
3-Aza-2-ethyl-5-methoxycarbonyl-9,10-methylenedioxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene
CID 5246290
ethyl 5-ethyl-7H-[1,3]dioxolo[4,5-h][2]benzazepine-8-carboxylate
CID 11266176
ethyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate
CID 11311841
methyl 1-ethyl-7-propoxy-3H-2-benzazepine-4-carboxylate
CID 11449074
ethyl 7-methoxy-1-methyl-3H-2-benzazepine-4-carboxylate
CID 11459601
methyl (E)-3-[5-methoxy-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
CID 59052802
ethyl 1-methyl-7-propoxy-3H-2-benzazepine-4-carboxylate
CID 134997320
ethyl 1-ethyl-7,8-dimethoxy-3H-2-benzazepine-4-carboxylate
CID 134997476
methyl 7,8-dimethoxy-1-methyl-3H-2-benzazepine-4-carboxylate
CID 134997477
Methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate
CID 135002062

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate (CID 11448310) is methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate is CCC1=NCC(C(=O)OC)=Cc2cc(OC)ccc21.
What is the InChIKey of methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate?
The InChIKey is BTFZWWPFQSDBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-14-13-6-5-12(18-2)8-10(13)7-11(9-16-14)15(17)19-3/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate?
methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-7-methoxy-3H-2-benzazepine-4-carboxylate is sourced from PubChem (CID 11448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).