7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C19H25ClFN3O2 — CID 10786116

IUPAC7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C19H25ClFN3O2/c1-4-24(5-2)8-6-7-12(3)23-19(26)14-11-22-17-10-15(20)16(21)9-13(17)18(14)25/h9-12H,4-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYOMYXCMCBHWENA-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.56
Rot. Bonds8

About 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10786116) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10786116
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C19H25ClFN3O2/c1-4-24(5-2)8-6-7-12(3)23-19(26)14-11-22-17-10-15(20)16(21)9-13(17)18(14)25/h9-12H,4-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYOMYXCMCBHWENA-UHFFFAOYSA-N
XLogP3.56
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 10786116) is 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is CCN(CC)CCCC(C)NC(=O)c1c[nH]c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YOMYXCMCBHWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2/c1-4-24(5-2)8-6-7-12(3)23-19(26)14-11-22-17-10-15(20)16(21)9-13(17)18(14)25/h9-12H,4-8H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 381.88 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-(diethylamino)pentan-2-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10786116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).