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

C30H29FN2O3 — CID 175090934

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)NC1CCOCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C30H29FN2O3/c1-35-29-5-3-2-4-22(29)18-26(30(34)33-24-13-16-36-17-14-24)21-8-6-20(7-9-21)25-12-15-32-28-11-10-23(31)19-27(25)28/h2-12,15,19,24,26H,13-14,16-18H2,1H3,(H,33,34)/t26-/m1/s1
InChIKeyUDCIKWUNKQGBQG-AREMUKBSSA-N
MW484.57 g/mol
LogP5.67
Rot. Bonds7

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

(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide (PubChem CID 175090934) has the molecular formula C30H29FN2O3 and a molecular weight of 484.57 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
PubChem CID175090934
Molecular FormulaC30H29FN2O3
Molecular Weight484.57 g/mol
Exact Mass484.22
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)NC1CCOCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C30H29FN2O3/c1-35-29-5-3-2-4-22(29)18-26(30(34)33-24-13-16-36-17-14-24)21-8-6-20(7-9-21)25-12-15-32-28-11-10-23(31)19-27(25)28/h2-12,15,19,24,26H,13-14,16-18H2,1H3,(H,33,34)/t26-/m1/s1
InChIKeyUDCIKWUNKQGBQG-AREMUKBSSA-N
XLogP5.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide (CID 175090934) is (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide is COc1ccccc1C[C@@H](C(=O)NC1CCOCC1)c1ccc(-c2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide?
The InChIKey is UDCIKWUNKQGBQG-AREMUKBSSA-N. The full InChI is InChI=1S/C30H29FN2O3/c1-35-29-5-3-2-4-22(29)18-26(30(34)33-24-13-16-36-17-14-24)21-8-6-20(7-9-21)25-12-15-32-28-11-10-23(31)19-27(25)28/h2-12,15,19,24,26H,13-14,16-18H2,1H3,(H,33,34)/t26-/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide has a molecular weight of 484.57 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 175090934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).