9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide

C19H16N2O4 — CID 57044861

IUPAC9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide
SMILESCOc1ccc(Cc2cc(C(N)=O)nc3ccc4c(c23)OCO4)cc1
InChIInChI=1S/C19H16N2O4/c1-23-13-4-2-11(3-5-13)8-12-9-15(19(20)22)21-14-6-7-16-18(17(12)14)25-10-24-16/h2-7,9H,8,10H2,1H3,(H2,20,22)
InChIKeyJKBYRHJBOSYFJQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.66
Rot. Bonds4

About 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide

9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide (PubChem CID 57044861) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide
PubChem CID57044861
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide
SMILESCOc1ccc(Cc2cc(C(N)=O)nc3ccc4c(c23)OCO4)cc1
InChIInChI=1S/C19H16N2O4/c1-23-13-4-2-11(3-5-13)8-12-9-15(19(20)22)21-14-6-7-16-18(17(12)14)25-10-24-16/h2-7,9H,8,10H2,1H3,(H2,20,22)
InChIKeyJKBYRHJBOSYFJQ-UHFFFAOYSA-N
XLogP2.66
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 174849709
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
CID 91664973
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 9404639
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
CID 68508127
N-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 5260694
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
CID 4069499
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3887522
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 24792388

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide (CID 57044861) is 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide is COc1ccc(Cc2cc(C(N)=O)nc3ccc4c(c23)OCO4)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide?
The InChIKey is JKBYRHJBOSYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-13-4-2-11(3-5-13)8-12-9-15(19(20)22)21-14-6-7-16-18(17(12)14)25-10-24-16/h2-7,9H,8,10H2,1H3,(H2,20,22).
What are the key properties of 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide?
9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide is sourced from PubChem (CID 57044861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).