4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide

C20H21FN4O3 — CID 163255250

IUPAC4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cc(OCC)ncc3F)c2[nH]c1=O
InChIInChI=1S/C20H21FN4O3/c1-3-8-23-19(26)16-17(22)12-7-5-6-11(18(12)25-20(16)27)13-9-15(28-4-2)24-10-14(13)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,23,26)(H3,22,25,27)
InChIKeyDWBFAQNMXBQSMM-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.85
Rot. Bonds6

About 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide

4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 163255250) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID163255250
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cc(OCC)ncc3F)c2[nH]c1=O
InChIInChI=1S/C20H21FN4O3/c1-3-8-23-19(26)16-17(22)12-7-5-6-11(18(12)25-20(16)27)13-9-15(28-4-2)24-10-14(13)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,23,26)(H3,22,25,27)
InChIKeyDWBFAQNMXBQSMM-UHFFFAOYSA-N
XLogP2.85
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 163255250) is 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(N)c2cccc(-c3cc(OCC)ncc3F)c2[nH]c1=O.
What is the InChIKey of 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is DWBFAQNMXBQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-3-8-23-19(26)16-17(22)12-7-5-6-11(18(12)25-20(16)27)13-9-15(28-4-2)24-10-14(13)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,23,26)(H3,22,25,27).
What are the key properties of 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163255250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).