(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

C31H31FN2O2 — CID 175090966

IUPAC(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)NC1CCCCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C31H31FN2O2/c1-36-30-10-6-5-7-23(30)19-27(31(35)34-25-8-3-2-4-9-25)22-13-11-21(12-14-22)26-17-18-33-29-16-15-24(32)20-28(26)29/h5-7,10-18,20,25,27H,2-4,8-9,19H2,1H3,(H,34,35)/t27-/m1/s1
InChIKeyXLPGENPIOCISHN-HHHXNRCGSA-N
MW482.60 g/mol
LogP6.82
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 175090966) has the molecular formula C31H31FN2O2 and a molecular weight of 482.60 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
PubChem CID175090966
Molecular FormulaC31H31FN2O2
Molecular Weight482.60 g/mol
Exact Mass482.24
IUPAC Name(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)NC1CCCCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C31H31FN2O2/c1-36-30-10-6-5-7-23(30)19-27(31(35)34-25-8-3-2-4-9-25)22-13-11-21(12-14-22)26-17-18-33-29-16-15-24(32)20-28(26)29/h5-7,10-18,20,25,27H,2-4,8-9,19H2,1H3,(H,34,35)/t27-/m1/s1
InChIKeyXLPGENPIOCISHN-HHHXNRCGSA-N
XLogP6.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (CID 175090966) is (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1C[C@@H](C(=O)NC1CCCCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is XLPGENPIOCISHN-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H31FN2O2/c1-36-30-10-6-5-7-23(30)19-27(31(35)34-25-8-3-2-4-9-25)22-13-11-21(12-14-22)26-17-18-33-29-16-15-24(32)20-28(26)29/h5-7,10-18,20,25,27H,2-4,8-9,19H2,1H3,(H,34,35)/t27-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 482.60 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 175090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).