methyl 4-amino-6-phenylquinoline-3-carboxylate

C17H14N2O2 — CID 102614814

IUPACmethyl 4-amino-6-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3ccccc3)cc2c1N
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-10-19-15-8-7-12(9-13(15)16(14)18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19)
InChIKeyYCENLCAKSCUZDC-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.27
Rot. Bonds2

About methyl 4-amino-6-phenylquinoline-3-carboxylate

methyl 4-amino-6-phenylquinoline-3-carboxylate (PubChem CID 102614814) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-amino-6-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-phenylquinoline-3-carboxylate
PubChem CID102614814
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 4-amino-6-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3ccccc3)cc2c1N
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-10-19-15-8-7-12(9-13(15)16(14)18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19)
InChIKeyYCENLCAKSCUZDC-UHFFFAOYSA-N
XLogP3.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenylquinoline-5-carboxylate
CID 15789216
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
4-amino-6-phenoxyquinoline-3-carboxylic acid
CID 54588448
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 2-(2,4-diaminoquinazolin-6-yl)-3-phenylbenzoate
CID 91440929

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-6-phenylquinoline-3-carboxylate (CID 102614814) is methyl 4-amino-6-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-6-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-6-phenylquinoline-3-carboxylate is COC(=O)c1cnc2ccc(-c3ccccc3)cc2c1N.
What is the InChIKey of methyl 4-amino-6-phenylquinoline-3-carboxylate?
The InChIKey is YCENLCAKSCUZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(20)14-10-19-15-8-7-12(9-13(15)16(14)18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-phenylquinoline-3-carboxylate?
methyl 4-amino-6-phenylquinoline-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-phenylquinoline-3-carboxylate is sourced from PubChem (CID 102614814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).