5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine

C19H18N2O3 — CID 70937381

IUPAC5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine
SMILESCOc1cc(OC)c2c(c1)OC1N=C(Nc3ccccc3)CC1=C2
InChIInChI=1S/C19H18N2O3/c1-22-14-10-16(23-2)15-8-12-9-18(20-13-6-4-3-5-7-13)21-19(12)24-17(15)11-14/h3-8,10-11,19H,9H2,1-2H3,(H,20,21)
InChIKeyQGARVSHLANNSHF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.72
Rot. Bonds3

About 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine

5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine (PubChem CID 70937381) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine.

Molecular Properties

Compound Name5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine
PubChem CID70937381
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine
SMILESCOc1cc(OC)c2c(c1)OC1N=C(Nc3ccccc3)CC1=C2
InChIInChI=1S/C19H18N2O3/c1-22-14-10-16(23-2)15-8-12-9-18(20-13-6-4-3-5-7-13)21-19(12)24-17(15)11-14/h3-8,10-11,19H,9H2,1-2H3,(H,20,21)
InChIKeyQGARVSHLANNSHF-UHFFFAOYSA-N
XLogP3.72
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine?
The IUPAC name of 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine (CID 70937381) is 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine.
What is the SMILES notation for 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine?
The canonical SMILES for 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine is COc1cc(OC)c2c(c1)OC1N=C(Nc3ccccc3)CC1=C2.
What is the InChIKey of 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine?
The InChIKey is QGARVSHLANNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-22-14-10-16(23-2)15-8-12-9-18(20-13-6-4-3-5-7-13)21-19(12)24-17(15)11-14/h3-8,10-11,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine?
5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine has a molecular weight of 322.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-N-phenyl-3,9a-dihydrochromeno[2,3-b]pyrrol-2-amine is sourced from PubChem (CID 70937381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).