(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H17ClN2O3S — CID 6622462

IUPAC(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc2c(Cl)nc3ccccc3c2s1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H17ClN2O3S/c20-17-13-11-15(26-16(13)12-3-1-2-4-14(12)21-17)18(23)22-7-5-19(6-8-22)24-9-10-25-19/h1-4,11H,5-10H2
InChIKeyNZNQBSISTDATGR-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.08
Rot. Bonds1

About (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 6622462) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID6622462
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc2c(Cl)nc3ccccc3c2s1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H17ClN2O3S/c20-17-13-11-15(26-16(13)12-3-1-2-4-14(12)21-17)18(23)22-7-5-19(6-8-22)24-9-10-25-19/h1-4,11H,5-10H2
InChIKeyNZNQBSISTDATGR-UHFFFAOYSA-N
XLogP4.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.08
H-Bond Donors ≤ 50
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 (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 6622462) is (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cc2c(Cl)nc3ccccc3c2s1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is NZNQBSISTDATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c20-17-13-11-15(26-16(13)12-3-1-2-4-14(12)21-17)18(23)22-7-5-19(6-8-22)24-9-10-25-19/h1-4,11H,5-10H2.
What are the key properties of (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 388.88 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 6622462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).