[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol

C25H30N2O2 — CID 144780777

IUPAC[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](C)[C@H]3NCCc1ccccc1
InChIInChI=1S/C25H30N2O2/c1-16-12-19(15-28)27-22-13-21-23(14-20(16)22)29-25(3,4)17(2)24(21)26-11-10-18-8-6-5-7-9-18/h5-9,12-14,17,24,26,28H,10-11,15H2,1-4H3/t17-,24-/m1/s1
InChIKeyQYVJMDZDTLYGJL-MZNJEOGPSA-N
MW390.53 g/mol
LogP4.72
Rot. Bonds5

About [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol

[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol (PubChem CID 144780777) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol
PubChem CID144780777
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](C)[C@H]3NCCc1ccccc1
InChIInChI=1S/C25H30N2O2/c1-16-12-19(15-28)27-22-13-21-23(14-20(16)22)29-25(3,4)17(2)24(21)26-11-10-18-8-6-5-7-9-18/h5-9,12-14,17,24,26,28H,10-11,15H2,1-4H3/t17-,24-/m1/s1
InChIKeyQYVJMDZDTLYGJL-MZNJEOGPSA-N
XLogP4.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol?
The IUPAC name of [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol (CID 144780777) is [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol.
What is the SMILES notation for [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol?
The canonical SMILES for [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol is Cc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](C)[C@H]3NCCc1ccccc1.
What is the InChIKey of [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol?
The InChIKey is QYVJMDZDTLYGJL-MZNJEOGPSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16-12-19(15-28)27-22-13-21-23(14-20(16)22)29-25(3,4)17(2)24(21)26-11-10-18-8-6-5-7-9-18/h5-9,12-14,17,24,26,28H,10-11,15H2,1-4H3/t17-,24-/m1/s1.
What are the key properties of [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol?
[(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol has a molecular weight of 390.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-2,2,3,9-tetramethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-7-yl]methanol is sourced from PubChem (CID 144780777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).