propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C14H14N2O4 — CID 10588363

IUPACpropyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCCOC(=O)c1cc2cc3c(cc2nc1N)OCO3
InChIInChI=1S/C14H14N2O4/c1-2-3-18-14(17)9-4-8-5-11-12(20-7-19-11)6-10(8)16-13(9)15/h4-6H,2-3,7H2,1H3,(H2,15,16)
InChIKeyFRPMKAYNMKYDRI-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.11
Rot. Bonds3

About propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 10588363) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Namepropyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID10588363
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namepropyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCCOC(=O)c1cc2cc3c(cc2nc1N)OCO3
InChIInChI=1S/C14H14N2O4/c1-2-3-18-14(17)9-4-8-5-11-12(20-7-19-11)6-10(8)16-13(9)15/h4-6H,2-3,7H2,1H3,(H2,15,16)
InChIKeyFRPMKAYNMKYDRI-UHFFFAOYSA-N
XLogP2.11
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate with MolForge

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Related Compounds

propyl 2-aminoquinoline-3-carboxylate
CID 10775804
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 6-[(4-fluorophenyl)carbamoylamino]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 11998862
ethyl 6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 11998971
propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
3,3-dimethylbutyl 6-amino-1,3-benzodioxole-5-carboxylate
CID 103543579
propyl 3-(1,3-benzodioxol-5-ylamino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50765302
propan-2-yl 6-amino-12,14-dioxa-4-thia-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),5,8,10,15-hexaene-5-carboxylate
CID 43812092
6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 4183514
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 859501
ethyl [1]benzothiolo[6,7-f][1,3]benzodioxole-4-carboxylate
CID 177472226

Frequently Asked Questions

What is the IUPAC name of propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 10588363) is propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCCOC(=O)c1cc2cc3c(cc2nc1N)OCO3.
What is the InChIKey of propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is FRPMKAYNMKYDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-3-18-14(17)9-4-8-5-11-12(20-7-19-11)6-10(8)16-13(9)15/h4-6H,2-3,7H2,1H3,(H2,15,16).
What are the key properties of propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-amino-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 10588363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).