ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate

C16H17NO3 — CID 82580013

IUPACethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C16H17NO3/c1-4-20-16(18)8-5-12-9-11(2)17-15-10-13(19-3)6-7-14(12)15/h5-10H,4H2,1-3H3/b8-5+
InChIKeyUCRZUEWOCZXKRE-VMPITWQZSA-N
MW271.32 g/mol
LogP3.13
Rot. Bonds4

About ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate

ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate (PubChem CID 82580013) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
PubChem CID82580013
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C16H17NO3/c1-4-20-16(18)8-5-12-9-11(2)17-15-10-13(19-3)6-7-14(12)15/h5-10H,4H2,1-3H3/b8-5+
InChIKeyUCRZUEWOCZXKRE-VMPITWQZSA-N
XLogP3.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2,6,7-trimethoxyphenanthren-9-yl)prop-2-enoate
CID 71534224
ethyl (E)-3-[2-methyl-6-(trifluoromethoxy)quinolin-4-yl]prop-2-enoate
CID 82580049
ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate
CID 82580047
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-[2-(difluoromethyl)-4-methoxyphenyl]prop-2-enoate
CID 166278174
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
CID 169481027
ethyl (E)-3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoate
CID 83766867

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate (CID 82580013) is ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate is CCOC(=O)/C=C/c1cc(C)nc2cc(OC)ccc12.
What is the InChIKey of ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate?
The InChIKey is UCRZUEWOCZXKRE-VMPITWQZSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-20-16(18)8-5-12-9-11(2)17-15-10-13(19-3)6-7-14(12)15/h5-10H,4H2,1-3H3/b8-5+.
What are the key properties of ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate?
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate has a molecular weight of 271.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate is sourced from PubChem (CID 82580013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).