(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate

C19H24N4O4 — CID 139661741

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate
SMILESCC1(C)CN(NC(=O)OC2COc3ccc4[nH]c(=O)ccc4c3C2)CCN1
InChIInChI=1S/C19H24N4O4/c1-19(2)11-23(8-7-20-19)22-18(25)27-12-9-14-13-3-6-17(24)21-15(13)4-5-16(14)26-10-12/h3-6,12,20H,7-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLNSVKAKXXKZOGB-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.16
Rot. Bonds2

About (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate (PubChem CID 139661741) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate
PubChem CID139661741
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate
SMILESCC1(C)CN(NC(=O)OC2COc3ccc4[nH]c(=O)ccc4c3C2)CCN1
InChIInChI=1S/C19H24N4O4/c1-19(2)11-23(8-7-20-19)22-18(25)27-12-9-14-13-3-6-17(24)21-15(13)4-5-16(14)26-10-12/h3-6,12,20H,7-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLNSVKAKXXKZOGB-UHFFFAOYSA-N
XLogP1.16
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate (CID 139661741) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate is CC1(C)CN(NC(=O)OC2COc3ccc4[nH]c(=O)ccc4c3C2)CCN1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate?
The InChIKey is LNSVKAKXXKZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(2)11-23(8-7-20-19)22-18(25)27-12-9-14-13-3-6-17(24)21-15(13)4-5-16(14)26-10-12/h3-6,12,20H,7-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate has a molecular weight of 372.43 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-(3,3-dimethylpiperazin-1-yl)carbamate is sourced from PubChem (CID 139661741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).