(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C19H20N2O2 — CID 95852130

IUPAC(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccco1)C3
InChIInChI=1S/C19H20N2O2/c1-13-5-3-6-15-9-16-11-21(12-17-7-4-8-22-17)10-14(2)23-19(16)20-18(13)15/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeySESAUOGVLBBHSY-AWEZNQCLSA-N
MW308.38 g/mol
LogP3.92
Rot. Bonds2

About (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 95852130) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID95852130
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccco1)C3
InChIInChI=1S/C19H20N2O2/c1-13-5-3-6-15-9-16-11-21(12-17-7-4-8-22-17)10-14(2)23-19(16)20-18(13)15/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeySESAUOGVLBBHSY-AWEZNQCLSA-N
XLogP3.92
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline with MolForge

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Related Compounds

2,10-dimethyl-4-(2-phenylethyl)-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817734
4-benzyl-10-methyl-2-phenyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 43817749
4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
CID 16668039
4-benzyl-2,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950064
8-methyl-2,3-dihydrofuro[2,3-b]quinoline
CID 603941
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950146
4-[2-(2-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950148
10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
CID 110233520
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
CID 95127720

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 95852130) is (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is Cc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccco1)C3.
What is the InChIKey of (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is SESAUOGVLBBHSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-5-3-6-15-9-16-11-21(12-17-7-4-8-22-17)10-14(2)23-19(16)20-18(13)15/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
(2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 308.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(furan-2-ylmethyl)-2,10-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 95852130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).