N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide

C26H23ClFN3O — CID 22641663

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H23ClFN3O/c27-16-5-10-22-24(13-14-29-25(22)15-16)30-17-6-8-18(9-7-17)31-26(32)21-11-12-23(28)20-4-2-1-3-19(20)21/h1-5,10-15,17-18H,6-9H2,(H,29,30)(H,31,32)
InChIKeyUYTIZRBCXKBTLE-UHFFFAOYSA-N
MW447.94 g/mol
LogP6.33
Rot. Bonds4

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide (PubChem CID 22641663) has the molecular formula C26H23ClFN3O and a molecular weight of 447.94 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide
PubChem CID22641663
Molecular FormulaC26H23ClFN3O
Molecular Weight447.94 g/mol
Exact Mass447.15
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide
SMILESO=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H23ClFN3O/c27-16-5-10-22-24(13-14-29-25(22)15-16)30-17-6-8-18(9-7-17)31-26(32)21-11-12-23(28)20-4-2-1-3-19(20)21/h1-5,10-15,17-18H,6-9H2,(H,29,30)(H,31,32)
InChIKeyUYTIZRBCXKBTLE-UHFFFAOYSA-N
XLogP6.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.94
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide (CID 22641663) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide is O=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide?
The InChIKey is UYTIZRBCXKBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O/c27-16-5-10-22-24(13-14-29-25(22)15-16)30-17-6-8-18(9-7-17)31-26(32)21-11-12-23(28)20-4-2-1-3-19(20)21/h1-5,10-15,17-18H,6-9H2,(H,29,30)(H,31,32).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 22641663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).