4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide

C18H18FN5O2 — CID 91089832

IUPAC4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
SMILESCOc1ccncc1CCCc1c(F)ccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C18H18FN5O2/c1-26-14-7-8-22-9-10(14)3-2-4-11-13(19)6-5-12-15(20)17(18(21)25)24-23-16(11)12/h5-9H,2-4H2,1H3,(H2,20,23)(H2,21,25)
InChIKeyMGYUHDSYQIQSHB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.03
Rot. Bonds6

About 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide

4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide (PubChem CID 91089832) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
PubChem CID91089832
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
SMILESCOc1ccncc1CCCc1c(F)ccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C18H18FN5O2/c1-26-14-7-8-22-9-10(14)3-2-4-11-13(19)6-5-12-15(20)17(18(21)25)24-23-16(11)12/h5-9H,2-4H2,1H3,(H2,20,23)(H2,21,25)
InChIKeyMGYUHDSYQIQSHB-UHFFFAOYSA-N
XLogP2.03
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide (CID 91089832) is 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide is COc1ccncc1CCCc1c(F)ccc2c(N)c(C(N)=O)nnc12.
What is the InChIKey of 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide?
The InChIKey is MGYUHDSYQIQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-26-14-7-8-22-9-10(14)3-2-4-11-13(19)6-5-12-15(20)17(18(21)25)24-23-16(11)12/h5-9H,2-4H2,1H3,(H2,20,23)(H2,21,25).
What are the key properties of 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide?
4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide is sourced from PubChem (CID 91089832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).