N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide

C23H13F7N2O — CID 134850042

IUPACN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H13F7N2O/c24-21(22(25,26)27,23(28,29)30)17-9-10-18(19-16(17)6-3-11-31-19)32-20(33)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,32,33)
InChIKeyLGRVGSUGJMTIOW-UHFFFAOYSA-N
MW466.36 g/mol
LogP6.93
Rot. Bonds3

About N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide

N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide (PubChem CID 134850042) has the molecular formula C23H13F7N2O and a molecular weight of 466.36 g/mol. Its IUPAC name is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide
PubChem CID134850042
Molecular FormulaC23H13F7N2O
Molecular Weight466.36 g/mol
Exact Mass466.09
IUPAC NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H13F7N2O/c24-21(22(25,26)27,23(28,29)30)17-9-10-18(19-16(17)6-3-11-31-19)32-20(33)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,32,33)
InChIKeyLGRVGSUGJMTIOW-UHFFFAOYSA-N
XLogP6.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide (CID 134850042) is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide is O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide?
The InChIKey is LGRVGSUGJMTIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F7N2O/c24-21(22(25,26)27,23(28,29)30)17-9-10-18(19-16(17)6-3-11-31-19)32-20(33)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H,(H,32,33).
What are the key properties of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide?
N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide has a molecular weight of 466.36 g/mol, XLogP of 6.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 134850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).