4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide

C15H20FN5O — CID 3075590

IUPAC4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nnc2cc(F)ccc2c1N
InChIInChI=1S/C15H20FN5O/c1-3-21(4-2)8-7-18-15(22)14-13(17)11-6-5-10(16)9-12(11)19-20-14/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeyBVVSJPSPGFUSHJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.42
Rot. Bonds6

About 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide

4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide (PubChem CID 3075590) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide
PubChem CID3075590
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1nnc2cc(F)ccc2c1N
InChIInChI=1S/C15H20FN5O/c1-3-21(4-2)8-7-18-15(22)14-13(17)11-6-5-10(16)9-12(11)19-20-14/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeyBVVSJPSPGFUSHJ-UHFFFAOYSA-N
XLogP1.42
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide (CID 3075590) is 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide is CCN(CC)CCNC(=O)c1nnc2cc(F)ccc2c1N.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide?
The InChIKey is BVVSJPSPGFUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-3-21(4-2)8-7-18-15(22)14-13(17)11-6-5-10(16)9-12(11)19-20-14/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,19)(H,18,22).
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide?
4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 3075590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).