N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide

C29H34FN3O3 — CID 162650363

IUPACN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)cc1N1CCOCC1
InChIInChI=1S/C29H34FN3O3/c1-19(32-29(34)22-7-10-28(35-2)27(17-22)33-13-15-36-16-14-33)20-3-5-21(6-4-20)24-11-12-31-26-9-8-23(30)18-25(24)26/h7-12,17-21H,3-6,13-16H2,1-2H3,(H,32,34)/t19-,20?,21?/m1/s1
InChIKeyCEZMCQZDXYRVDR-QNGMFEMESA-N
MW491.61 g/mol
LogP5.31
Rot. Bonds6

About N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide (PubChem CID 162650363) has the molecular formula C29H34FN3O3 and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide
PubChem CID162650363
Molecular FormulaC29H34FN3O3
Molecular Weight491.61 g/mol
Exact Mass491.26
IUPAC NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)cc1N1CCOCC1
InChIInChI=1S/C29H34FN3O3/c1-19(32-29(34)22-7-10-28(35-2)27(17-22)33-13-15-36-16-14-33)20-3-5-21(6-4-20)24-11-12-31-26-9-8-23(30)18-25(24)26/h7-12,17-21H,3-6,13-16H2,1-2H3,(H,32,34)/t19-,20?,21?/m1/s1
InChIKeyCEZMCQZDXYRVDR-QNGMFEMESA-N
XLogP5.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide (CID 162650363) is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide is COc1ccc(C(=O)N[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)cc1N1CCOCC1.
What is the InChIKey of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide?
The InChIKey is CEZMCQZDXYRVDR-QNGMFEMESA-N. The full InChI is InChI=1S/C29H34FN3O3/c1-19(32-29(34)22-7-10-28(35-2)27(17-22)33-13-15-36-16-14-33)20-3-5-21(6-4-20)24-11-12-31-26-9-8-23(30)18-25(24)26/h7-12,17-21H,3-6,13-16H2,1-2H3,(H,32,34)/t19-,20?,21?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide?
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide has a molecular weight of 491.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 162650363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).