2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide

C30H30FN3O2 — CID 140778987

IUPAC2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c([C@H](C)C3CCC(c4ccnc5ccc(F)cc45)CC3)c2)nc1
InChIInChI=1S/C30H30FN3O2/c1-18(26-15-21(7-10-25(26)30(32)35)28-12-9-23(36-2)17-34-28)19-3-5-20(6-4-19)24-13-14-33-29-11-8-22(31)16-27(24)29/h7-20H,3-6H2,1-2H3,(H2,32,35)/t18-,19?,20?/m1/s1
InChIKeyZXIFNKSHSRIJRY-XEVCZEQESA-N
MW483.59 g/mol
LogP6.62
Rot. Bonds6

About 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide

2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide (PubChem CID 140778987) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide
PubChem CID140778987
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)c([C@H](C)C3CCC(c4ccnc5ccc(F)cc45)CC3)c2)nc1
InChIInChI=1S/C30H30FN3O2/c1-18(26-15-21(7-10-25(26)30(32)35)28-12-9-23(36-2)17-34-28)19-3-5-20(6-4-19)24-13-14-33-29-11-8-22(31)16-27(24)29/h7-20H,3-6H2,1-2H3,(H2,32,35)/t18-,19?,20?/m1/s1
InChIKeyZXIFNKSHSRIJRY-XEVCZEQESA-N
XLogP6.62
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide (CID 140778987) is 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide is COc1ccc(-c2ccc(C(N)=O)c([C@H](C)C3CCC(c4ccnc5ccc(F)cc45)CC3)c2)nc1.
What is the InChIKey of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide?
The InChIKey is ZXIFNKSHSRIJRY-XEVCZEQESA-N. The full InChI is InChI=1S/C30H30FN3O2/c1-18(26-15-21(7-10-25(26)30(32)35)28-12-9-23(36-2)17-34-28)19-3-5-20(6-4-19)24-13-14-33-29-11-8-22(31)16-27(24)29/h7-20H,3-6H2,1-2H3,(H2,32,35)/t18-,19?,20?/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide?
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide has a molecular weight of 483.59 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-(5-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 140778987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).