N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

C21H28FN5O3 — CID 24657264

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCCc3cccc(F)c32)c(=O)[nH]c1=O
InChIInChI=1S/C21H28FN5O3/c1-3-5-12-27-19(23)18(20(29)24-21(27)30)26(4-2)16(28)13-25-11-7-9-14-8-6-10-15(22)17(14)25/h6,8,10H,3-5,7,9,11-13,23H2,1-2H3,(H,24,29,30)
InChIKeyAQAQXGGUWLAEFN-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.86
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 24657264) has the molecular formula C21H28FN5O3 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID24657264
Molecular FormulaC21H28FN5O3
Molecular Weight417.49 g/mol
Exact Mass417.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCCc3cccc(F)c32)c(=O)[nH]c1=O
InChIInChI=1S/C21H28FN5O3/c1-3-5-12-27-19(23)18(20(29)24-21(27)30)26(4-2)16(28)13-25-11-7-9-14-8-6-10-15(22)17(14)25/h6,8,10H,3-5,7,9,11-13,23H2,1-2H3,(H,24,29,30)
InChIKeyAQAQXGGUWLAEFN-UHFFFAOYSA-N
XLogP1.86
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 24657264) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is CCCCn1c(N)c(N(CC)C(=O)CN2CCCc3cccc(F)c32)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is AQAQXGGUWLAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O3/c1-3-5-12-27-19(23)18(20(29)24-21(27)30)26(4-2)16(28)13-25-11-7-9-14-8-6-10-15(22)17(14)25/h6,8,10H,3-5,7,9,11-13,23H2,1-2H3,(H,24,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 24657264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).