methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate

C26H19N3O3 — CID 18198896

IUPACmethyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(Cn2cnc3ccccc3c2=O)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H19N3O3/c1-32-26(31)24-22(15-29-16-27-20-13-7-6-12-19(20)25(29)30)28-21-14-8-5-11-18(21)23(24)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3
InChIKeyGODXFBZINXLOFM-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.45
Rot. Bonds4

About methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate

methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 18198896) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
PubChem CID18198896
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Namemethyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(Cn2cnc3ccccc3c2=O)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H19N3O3/c1-32-26(31)24-22(15-29-16-27-20-13-7-6-12-19(20)25(29)30)28-21-14-8-5-11-18(21)23(24)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3
InChIKeyGODXFBZINXLOFM-UHFFFAOYSA-N
XLogP4.45
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610996
methyl 2-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18279349
ethyl 2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 26921692
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 46538622
methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 26623752
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
CID 112799764
methyl 4-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 27714338
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate (CID 18198896) is methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(Cn2cnc3ccccc3c2=O)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is GODXFBZINXLOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-32-26(31)24-22(15-29-16-27-20-13-7-6-12-19(20)25(29)30)28-21-14-8-5-11-18(21)23(24)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3.
What are the key properties of methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 421.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 18198896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).