(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide

C25H26N2O3 — CID 42407934

IUPAC(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@H]1CCCO1)C2
InChIInChI=1S/C25H26N2O3/c1-15-10-19-13-20(14-26-25(28)23-4-3-9-29-23)30-24(19)21(11-15)17-7-8-22-18(12-17)6-5-16(2)27-22/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,26,28)/t20-,23+/m0/s1
InChIKeyVXUXCCKDBJVTCT-NZQKXSOJSA-N
MW402.49 g/mol
LogP4.12
Rot. Bonds4

About (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 42407934) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
PubChem CID42407934
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@H]1CCCO1)C2
InChIInChI=1S/C25H26N2O3/c1-15-10-19-13-20(14-26-25(28)23-4-3-9-29-23)30-24(19)21(11-15)17-7-8-22-18(12-17)6-5-16(2)27-22/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,26,28)/t20-,23+/m0/s1
InChIKeyVXUXCCKDBJVTCT-NZQKXSOJSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[(2S)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
CID 26322064
2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42359609
3-methoxy-N-[[5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 126462370
N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolane-2-carboxamide
CID 45165954
5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 126467458
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42247606
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
2,2-dimethyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42319769
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
(4S)-N-[[(2R)-7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,2-dimethyloxane-4-carboxamide
CID 26348440
(3S)-N-[[(2S)-7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidine-3-carboxamide
CID 42371342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide (CID 42407934) is (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide is Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@H]1CCCO1)C2.
What is the InChIKey of (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is VXUXCCKDBJVTCT-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-15-10-19-13-20(14-26-25(28)23-4-3-9-29-23)30-24(19)21(11-15)17-7-8-22-18(12-17)6-5-16(2)27-22/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,26,28)/t20-,23+/m0/s1.
What are the key properties of (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42407934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).