10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine

C23H23NO2 — CID 59572281

IUPAC10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C23H23NO2/c1-15-8-11-20-18(13-15)9-10-19-14-16(2)26-23(19)24(20)21-7-3-5-17-6-4-12-25-22(17)21/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3
InChIKeyKTDPXWPAFGBYCU-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.79
Rot. Bonds1

About 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine

10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine (PubChem CID 59572281) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
PubChem CID59572281
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C23H23NO2/c1-15-8-11-20-18(13-15)9-10-19-14-16(2)26-23(19)24(20)21-7-3-5-17-6-4-12-25-22(17)21/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3
InChIKeyKTDPXWPAFGBYCU-UHFFFAOYSA-N
XLogP5.79
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine with MolForge

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Related Compounds

4-(Furan-2-yl)-6-methyl-1-(4-methylphenyl)quinolin-2-one
CID 166442547
Ethyl 4-acetyl-2-(6-oxopentadecyl)phenoxazine-10-carboxylate
CID 23107004
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-(2-phenyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)ethanone
CID 53793700
2-Methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572214
2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene
CID 59572216
9-(2-methoxy-4-methylphenyl)-4H-furo[2,3-b]quinoline
CID 59572224
6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
CID 59572230
9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4H-furo[2,3-b]quinoline
CID 59572251
10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572263
2,7-Dimethyl-10-(2-phenylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572264
2-(3,4-dihydro-2H-chromen-8-yl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59572275
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][1]benzazepine
CID 59572308

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine (CID 59572281) is 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The canonical SMILES for 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine is Cc1ccc2c(c1)CCc1cc(C)oc1N2c1cccc2c1OCCC2.
What is the InChIKey of 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
The InChIKey is KTDPXWPAFGBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-15-8-11-20-18(13-15)9-10-19-14-16(2)26-23(19)24(20)21-7-3-5-17-6-4-12-25-22(17)21/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3.
What are the key properties of 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine?
10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine has a molecular weight of 345.44 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).