N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H26N2O4 — CID 69426063

IUPACN-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)o1
InChIInChI=1S/C25H26N2O4/c1-17-15-23(27(18(2)28)19-9-5-4-6-10-19)21-11-7-8-12-22(21)26(17)25(29)24-14-13-20(31-24)16-30-3/h4-14,17,23H,15-16H2,1-3H3/t17-,23+/m0/s1
InChIKeyVDWDQEFMPHQGBS-GAJHUEQPSA-N
MW418.49 g/mol
LogP4.96
Rot. Bonds5

About N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 69426063) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID69426063
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)o1
InChIInChI=1S/C25H26N2O4/c1-17-15-23(27(18(2)28)19-9-5-4-6-10-19)21-11-7-8-12-22(21)26(17)25(29)24-14-13-20(31-24)16-30-3/h4-14,17,23H,15-16H2,1-3H3/t17-,23+/m0/s1
InChIKeyVDWDQEFMPHQGBS-GAJHUEQPSA-N
XLogP4.96
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 69426063) is N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is COCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)o1.
What is the InChIKey of N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is VDWDQEFMPHQGBS-GAJHUEQPSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-15-23(27(18(2)28)19-9-5-4-6-10-19)21-11-7-8-12-22(21)26(17)25(29)24-14-13-20(31-24)16-30-3/h4-14,17,23H,15-16H2,1-3H3/t17-,23+/m0/s1.
What are the key properties of N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 418.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 69426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).