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

C16H19NO3 — CID 66608053

IUPAC(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](O)C3
InChIInChI=1S/C16H19NO3/c1-9-4-11(8-18)17-13-5-10-6-15(19)16(2,3)20-14(10)7-12(9)13/h4-5,7,15,18-19H,6,8H2,1-3H3/t15-/m1/s1
InChIKeyDVLHFGHYRYYZCT-OAHLLOKOSA-N
MW273.33 g/mol
LogP2.11
Rot. Bonds1

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

(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 66608053) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID66608053
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](O)C3
InChIInChI=1S/C16H19NO3/c1-9-4-11(8-18)17-13-5-10-6-15(19)16(2,3)20-14(10)7-12(9)13/h4-5,7,15,18-19H,6,8H2,1-3H3/t15-/m1/s1
InChIKeyDVLHFGHYRYYZCT-OAHLLOKOSA-N
XLogP2.11
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 66608053) is (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](O)C3.
What is the InChIKey of (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is DVLHFGHYRYYZCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-4-11(8-18)17-13-5-10-6-15(19)16(2,3)20-14(10)7-12(9)13/h4-5,7,15,18-19H,6,8H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 273.33 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 66608053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).