ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate

C23H22N2O4 — CID 33261281

IUPACethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1
InChIInChI=1S/C23H22N2O4/c1-4-29-22(26)12-7-16-5-8-18(9-6-16)25-23(27)20-14-17-13-19(28-3)10-11-21(17)24-15(20)2/h5-14H,4H2,1-3H3,(H,25,27)/b12-7+
InChIKeyKBUDNRCRLQNMFI-KPKJPENVSA-N
MW390.44 g/mol
LogP4.38
Rot. Bonds6

About ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate (PubChem CID 33261281) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
PubChem CID33261281
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1
InChIInChI=1S/C23H22N2O4/c1-4-29-22(26)12-7-16-5-8-18(9-6-16)25-23(27)20-14-17-13-19(28-3)10-11-21(17)24-15(20)2/h5-14H,4H2,1-3H3,(H,25,27)/b12-7+
InChIKeyKBUDNRCRLQNMFI-KPKJPENVSA-N
XLogP4.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate with MolForge

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Related Compounds

N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
CID 31146550
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
CID 27902050
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357
methyl 3-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]benzoate
CID 55759537
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
CID 169481027
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013
ethyl (E)-3-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 24530008
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate (CID 33261281) is ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate?
The InChIKey is KBUDNRCRLQNMFI-KPKJPENVSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-4-29-22(26)12-7-16-5-8-18(9-6-16)25-23(27)20-14-17-13-19(28-3)10-11-21(17)24-15(20)2/h5-14H,4H2,1-3H3,(H,25,27)/b12-7+.
What are the key properties of ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate has a molecular weight of 390.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 33261281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).