7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

C24H28N2O3 — CID 11703855

IUPAC7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-15-11-17(14-27)26-20-12-19-21(13-18(15)20)29-24(2,3)23(28)22(19)25-10-9-16-7-5-4-6-8-16/h4-8,11-13,22-23,25,27-28H,9-10,14H2,1-3H3
InChIKeyZZUSANGEAUESFL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.44
Rot. Bonds5

About 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 11703855) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID11703855
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-15-11-17(14-27)26-20-12-19-21(13-18(15)20)29-24(2,3)23(28)22(19)25-10-9-16-7-5-4-6-8-16/h4-8,11-13,22-23,25,27-28H,9-10,14H2,1-3H3
InChIKeyZZUSANGEAUESFL-UHFFFAOYSA-N
XLogP3.44
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 11703855) is 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(CO)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccccc1.
What is the InChIKey of 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is ZZUSANGEAUESFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15-11-17(14-27)26-20-12-19-21(13-18(15)20)29-24(2,3)23(28)22(19)25-10-9-16-7-5-4-6-8-16/h4-8,11-13,22-23,25,27-28H,9-10,14H2,1-3H3.
What are the key properties of 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 392.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 11703855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).