methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate

C25H24N2O3 — CID 141448044

IUPACmethyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3occc3-c3ccccc3)c(N(C)C(C)C)cc2c1
InChIInChI=1S/C25H24N2O3/c1-16(2)27(3)22-15-19-14-18(25(28)29-4)10-11-21(19)26-23(22)24-20(12-13-30-24)17-8-6-5-7-9-17/h5-16H,1-4H3
InChIKeyVEKHNEFNHGIZDQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.79
Rot. Bonds5

About methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate

methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate (PubChem CID 141448044) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
PubChem CID141448044
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Namemethyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3occc3-c3ccccc3)c(N(C)C(C)C)cc2c1
InChIInChI=1S/C25H24N2O3/c1-16(2)27(3)22-15-19-14-18(25(28)29-4)10-11-21(19)26-23(22)24-20(12-13-30-24)17-8-6-5-7-9-17/h5-16H,1-4H3
InChIKeyVEKHNEFNHGIZDQ-UHFFFAOYSA-N
XLogP5.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoxaline-6-carboxylate
CID 70665079
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
CID 141447996
sodium;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 158584817
2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
CID 70664837
methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344743
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344901
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
CID 86718142
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methanol;methyl 2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 157267531

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate (CID 141448044) is methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate is COC(=O)c1ccc2nc(-c3occc3-c3ccccc3)c(N(C)C(C)C)cc2c1.
What is the InChIKey of methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate?
The InChIKey is VEKHNEFNHGIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16(2)27(3)22-15-19-14-18(25(28)29-4)10-11-21(19)26-23(22)24-20(12-13-30-24)17-8-6-5-7-9-17/h5-16H,1-4H3.
What are the key properties of methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate?
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate is sourced from PubChem (CID 141448044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).