7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

C22H24ClN3O2 — CID 11553035

IUPAC7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccncc1
InChIInChI=1S/C22H24ClN3O2/c1-13-10-19(23)26-17-11-16-18(12-15(13)17)28-22(2,3)21(27)20(16)25-9-6-14-4-7-24-8-5-14/h4-5,7-8,10-12,20-21,25,27H,6,9H2,1-3H3
InChIKeyMXIJWHXNCBQJHS-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.00
Rot. Bonds4

About 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol

7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (PubChem CID 11553035) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.

Molecular Properties

Compound Name7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
PubChem CID11553035
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
SMILESCc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccncc1
InChIInChI=1S/C22H24ClN3O2/c1-13-10-19(23)26-17-11-16-18(12-15(13)17)28-22(2,3)21(27)20(16)25-9-6-14-4-7-24-8-5-14/h4-5,7-8,10-12,20-21,25,27H,6,9H2,1-3H3
InChIKeyMXIJWHXNCBQJHS-UHFFFAOYSA-N
XLogP4.00
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The IUPAC name of 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol (CID 11553035) is 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol.
What is the SMILES notation for 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The canonical SMILES for 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)C(O)C3NCCc1ccncc1.
What is the InChIKey of 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
The InChIKey is MXIJWHXNCBQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-13-10-19(23)26-17-11-16-18(12-15(13)17)28-22(2,3)21(27)20(16)25-9-6-14-4-7-24-8-5-14/h4-5,7-8,10-12,20-21,25,27H,6,9H2,1-3H3.
What are the key properties of 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol?
7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol has a molecular weight of 397.91 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,9-trimethyl-4-(2-pyridin-4-ylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol is sourced from PubChem (CID 11553035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).