N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide

C16H11ClN2O4 — CID 6489290

IUPACN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cc2cc3c(cc2nc1Cl)OCO3)c1ccco1
InChIInChI=1S/C16H11ClN2O4/c17-15-10(7-18-16(20)12-2-1-3-21-12)4-9-5-13-14(23-8-22-13)6-11(9)19-15/h1-6H,7-8H2,(H,18,20)
InChIKeySWMPWKGCQYLPLX-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.14
Rot. Bonds3

About N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide

N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide (PubChem CID 6489290) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide
PubChem CID6489290
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC NameN-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cc2cc3c(cc2nc1Cl)OCO3)c1ccco1
InChIInChI=1S/C16H11ClN2O4/c17-15-10(7-18-16(20)12-2-1-3-21-12)4-9-5-13-14(23-8-22-13)6-11(9)19-15/h1-6H,7-8H2,(H,18,20)
InChIKeySWMPWKGCQYLPLX-UHFFFAOYSA-N
XLogP3.14
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide (CID 6489290) is N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide is O=C(NCc1cc2cc3c(cc2nc1Cl)OCO3)c1ccco1.
What is the InChIKey of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide?
The InChIKey is SWMPWKGCQYLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-15-10(7-18-16(20)12-2-1-3-21-12)4-9-5-13-14(23-8-22-13)6-11(9)19-15/h1-6H,7-8H2,(H,18,20).
What are the key properties of N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide?
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide has a molecular weight of 330.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 6489290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).